| session |
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'metadata_published': '2025-05-19 20:33:17', 'name': '7glyosyloxazolomycind12', 'notes': 'This dataset contains NMR spectra obtained for the sample -7glyosyloxazolomycinD date: 2024-05-28T06:09:54.000Z isFt: true name: 7glyosyloxazolomycinD/10 phc0: -9.570359 phc1: 31.6598 type: NMR Spectrum DECIM: 1418.66666666667 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 1H reverse: false solvent: DMSO dimension: 1 increment: null isComplex: true probeName: Z135421_0007 (CPP TCI 700S3 H&F-C/N-D-05 Z) experiment: 1d groupDelay: 67.9896545410156 temperature: 297.9995 spectrumSize: 65536 baseFrequency: 700.206 fieldStrength: 16.44545483609922 numberOfScans: 64 pulseSequence: zg30 spectralWidth: 20.1335854132601 numberOfPoints: 1 relaxationTime: 1 acquisitionTime: 0 frequencyOffset: 4323.772000020654 originFrequency: 700.210323772 pulseStrength90: 31250 experimentNumber: 10 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-05-28T07:20:19.000Z isFt: true name: 7glyosyloxazolomycinD/11 phc0: 7.76294 phc1: -5.714125 type: NMR Spectrum DECIM: 469.333333333333 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 13C reverse: false solvent: DMSO dimension: 1 increment: null isComplex: true probeName: Z135421_0007 (CPP TCI 700S3 H&F-C/N-D-05 Z) experiment: 1d groupDelay: 67.9932556152344 temperature: 298.0015 spectrumSize: 131072 baseFrequency: 176.066938741 fieldStrength: 16.441951656284715 numberOfScans: 768 pulseSequence: udeft spectralWidth: 242.006680701927 numberOfPoints: 1 relaxationTime: 4 acquisitionTime: 0 frequencyOffset: 17606.69399999415 originFrequency: 176.084545435 pulseStrength90: 20833.333333333332 experimentNumber: 11 acquisitionScheme: undefined linearPredictionBin: 262144 lpNumberOfCoefficients: 4096 windowMultiplicationMode: 1 date: 2024-05-28T07:21:50.000Z isFt: true name: 7glyosyloxazolomycinD/12 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 2240 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: DMSO dimension: 2 increment: null isComplex: false probeName: Z135421_0007 (CPP TCI 700S3 H&F-C/N-D-05 Z) experiment: cosy groupDelay: 67.9842224121094 temperature: 298.0015 spectrumSize: 1024,1024 baseFrequency: 700.206,700.206 fieldStrength: 16.44545483609922 numberOfScans: 2 pulseSequence: cosygpppqf spectralWidth: 12.7513057253185,12.7513057253185 numberOfPoints: 1 relaxationTime: 1.997952 acquisitionTime: 0 frequencyOffset: 2403.821985012655,2403.821985012655 originFrequency: 700.208403821985,700.208403821985 pulseStrength90: 31250 experimentNumber: 12 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,512 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2024-05-28T07:42:51.000Z isFt: false name: 7glyosyloxazolomycinD/13 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 1792 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: DMSO dimension: 2 increment: null isComplex: true probeName: Z135421_0007 (CPP TCI 700S3 H&F-C/N-D-05 Z) experiment: hsqc groupDelay: 67.9841766357422 temperature: 297.9997 spectrumSize: 1024,1024 baseFrequency: 700.206,176.066938741 digitalFilter: 67.9841766357422 fieldStrength: 16.44545483609922 numberOfScans: 4 pulseSequence: hsqcedetgpsisp2.3 spectralWidth: 15.9391119621992,165.093955631663 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 3290.967999987515,13205.021000004535 originFrequency: 700.209290968,176.080143762 pulseStrength90: 31250 experimentNumber: 13 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 4,4 date: 2024-05-28T08:20:45.000Z isFt: true name: 7glyosyloxazolomycinD/14 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 2240 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: DMSO dimension: 2 increment: null isComplex: false probeName: Z135421_0007 (CPP TCI 700S3 H&F-C/N-D-05 Z) experiment: hmbc groupDelay: 67.9842224121094 temperature: 297.9996 spectrumSize: 2048,1024 baseFrequency: 700.206,176.066938741 fieldStrength: 16.44545483609922 numberOfScans: 8 pulseSequence: hmbcgplpndqf spectralWidth: 12.7513057253185,220.11977159454 numberOfPoints: 1 relaxationTime: 1.497952 acquisitionTime: 0 frequencyOffset: 2403.821985012655,17606.69399999415 originFrequency: 700.208403821985,176.084545435 pulseStrength90: 31250 experimentNumber: 14 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,512 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,3 date: 2024-05-28T09:20:06.000Z isFt: true name: 7glyosyloxazolomycinD/15 phc0: -11.94801,90 phc1: 38.67323,-180 type: NMR Spectrum DECIM: 2240 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: DMSO dimension: 2 increment: null isComplex: false probeName: Z135421_0007 (CPP TCI 700S3 H&F-C/N-D-05 Z) experiment: noesy groupDelay: 67.9842224121094 temperature: 297.9984 spectrumSize: 1024,1024 baseFrequency: 700.206,700.206 fieldStrength: 16.44545483609922 numberOfScans: 4 pulseSequence: noesygpphpp spectralWidth: 12.7513057253185,12.7513057253185 numberOfPoints: 1 relaxationTime: 2.031539 acquisitionTime: 0 frequencyOffset: 2403.821985012655,2403.821985012655 originFrequency: 700.208403821985,700.208403821985 pulseStrength90: 31250 experimentNumber: 15 acquisitionScheme: States-TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '14e443f8-70e7-497d-9785-3727d79901ab', 'name': 'nmrxiv', 'title': 'nmrXiv', 'type': 'repository', 'description': 'The Open, FAIR and Consensus-Driven NMR spectroscopy data repository and analysis platform.', 'image_url': 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'license_id': 'CC BY-NC-SA 4.0 Deed', 'license_title': 'Attribution-NonCommercial-ShareAlike 4.0 International', 'license_url': 'https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode', 'maintainer_email': None, 'measurement_technique': 'correlation spectroscopy', 'measurement_technique_iri': 'CHMO:0000599', 'metadata_created': '2025-05-17T13:43:26.565858', 'metadata_modified': '2025-05-24T13:43:35.162967', 'metadata_published': '2025-05-15 13:02:47', 'name': 'kasichelina12', 'notes': 'This dataset contains NMR spectra obtained for the sample -kasichelinA date: 2021-09-14T14:18:29.000Z isFt: true name: kasichelinA/10 phc0: -14.57937 phc1: 42.27682 type: NMR Spectrum DECIM: 1418.66666666667 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 1H reverse: false solvent: MeOD dimension: 1 increment: null isComplex: true probeName: Z135421_0007 (CPP TCI 700S3 H&F-C/N-D-05 Z) experiment: 1d groupDelay: 67.9896545410156 temperature: 298.0001 spectrumSize: 65536 baseFrequency: 700.29 fieldStrength: 16.447427710090917 numberOfScans: 64 pulseSequence: zg30 spectralWidth: 20.1311703835228 numberOfPoints: 1 relaxationTime: 1 acquisitionTime: 0 frequencyOffset: 4324.289999999564 originFrequency: 700.29432429 pulseStrength90: 31250 experimentNumber: 10 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2021-09-14T17:49:34.000Z isFt: true name: kasichelinA/11 phc0: 8.454386 phc1: -10.34973 type: NMR Spectrum DECIM: 469.333333333333 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 13C reverse: false solvent: MeOD dimension: 1 increment: null isComplex: true probeName: Z135421_0007 (CPP TCI 700S3 H&F-C/N-D-05 Z) experiment: 1d groupDelay: 67.9932556152344 temperature: 297.9994 spectrumSize: 131072 baseFrequency: 176.088060558 fieldStrength: 16.44392411003719 numberOfScans: 2560 pulseSequence: udeft spectralWidth: 241.97765192609 numberOfPoints: 1 relaxationTime: 4 acquisitionTime: 0 frequencyOffset: 17608.805999998367 originFrequency: 176.105669364 pulseStrength90: 20833.333333333332 experimentNumber: 11 acquisitionScheme: undefined linearPredictionBin: 262144 lpNumberOfCoefficients: 4096 windowMultiplicationMode: 1 date: 2021-09-14T17:51:05.000Z isFt: true name: kasichelinA/12 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 2856 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: MeOD dimension: 2 increment: null isComplex: false probeName: Z135421_0007 (CPP TCI 700S3 H&F-C/N-D-05 Z) experiment: cosy groupDelay: 67.9860382080078 temperature: 298.001 spectrumSize: 1024,1024 baseFrequency: 700.29,700.29 fieldStrength: 16.447427710090917 numberOfScans: 4 pulseSequence: cosygpppqf spectralWidth: 9.9998088029497,9.9998088029497 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 3501.450000044315,3501.450000044315 originFrequency: 700.29350145,700.29350145 pulseStrength90: 31250 experimentNumber: 12 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,512 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2021-09-14T18:30:17.000Z isFt: true name: kasichelinA/13 phc0: 89.11053,180 phc1: 21.98688,-180 type: NMR Spectrum DECIM: 2856 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: MeOD dimension: 2 increment: null isComplex: false probeName: Z135421_0007 (CPP TCI 700S3 H&F-C/N-D-05 Z) experiment: tocsy groupDelay: 67.9860382080078 temperature: 297.9999 spectrumSize: 1024,1024 baseFrequency: 700.29,700.29 fieldStrength: 16.447427710090917 numberOfScans: 8 pulseSequence: mlevphpp spectralWidth: 9.9998088029497,9.9998088029497 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 3501.450000044315,3501.450000044315 originFrequency: 700.29350145,700.29350145 pulseStrength90: 31250 experimentNumber: 13 acquisitionScheme: States-TPPI linearPredictionBin: 0,512 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2021-09-14T19:51:02.000Z isFt: false name: kasichelinA/14 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 2856 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: MeOD dimension: 2 increment: null isComplex: true probeName: Z135421_0007 (CPP TCI 700S3 H&F-C/N-D-05 Z) experiment: hsqc groupDelay: 67.9860382080078 temperature: 297.9987 spectrumSize: 1024,1024 baseFrequency: 700.29,176.088060558 digitalFilter: 67.9860382080078 fieldStrength: 16.447427710090917 numberOfScans: 16 pulseSequence: hsqcedetgpsisp2.3 spectralWidth: 9.9998088029497,165.074152561057 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 3501.450000044315,13206.604999993488 originFrequency: 700.29350145,176.101267163 pulseStrength90: 31250 experimentNumber: 14 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 4,4 date: 2021-09-14T22:21:33.000Z isFt: true name: kasichelinA/15 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 2856 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: MeOD dimension: 2 increment: null isComplex: false probeName: Z135421_0007 (CPP TCI 700S3 H&F-C/N-D-05 Z) experiment: hmbc groupDelay: 67.9860382080078 temperature: 297.9999 spectrumSize: 2048,1024 baseFrequency: 700.29,176.088060558 fieldStrength: 16.447427710090917 numberOfScans: 32 pulseSequence: hmbcgplpndqf spectralWidth: 9.9998088029497,220.093368160491 numberOfPoints: 1 relaxationTime: 1.5 acquisitionTime: 0 frequencyOffset: 3501.450000044315,17608.805999998367 originFrequency: 700.29350145,176.105669364 pulseStrength90: 31250 experimentNumber: 15 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,512 lpNumberOfCoefficients: 0,32 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'Z135421_0007 (CPP TCI 700S3 H&F-C/N-D-05 Z)'}, {'variableMeasured_name': 'Temperature', 'variableMeasured_propertyID': 'NCIT:C25206', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C25206', 'variableMeasured_value': '298.001'}, {'variableMeasured_name': 'irradiation frequency', 'variableMeasured_propertyID': 'NMR:1400026', 'variableMeasured_value': '[700.29, 700.29]'}, {'variableMeasured_name': 'magnetic field strength', 'variableMeasured_propertyID': 'MR:1400253', 'variableMeasured_value': '16.447427710090917'}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': '4'}, {'variableMeasured_name': 'nuclear magnetic resonance pulse sequence', 'variableMeasured_propertyID': 'CHMO:0001841', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/CHMO_0001841', 'variableMeasured_value': 'cosygpppqf'}, {'variableMeasured_name': 'Spectral Width', 'variableMeasured_propertyID': 'NCIT:C156496', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C156496', 'variableMeasured_value': '[9.9998088029497, 9.9998088029497]'}, {'variableMeasured_name': 'number of data points', 'variableMeasured_propertyID': 'NMR:1000176', 'variableMeasured_value': '1'}, {'variableMeasured_name': 'relaxation time measurement', 'variableMeasured_propertyID': 'FIX:0000202', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/FIX_0000202', 'variableMeasured_value': '2'}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': '1a4b0a28-7d5f-48ae-9133-590f31a62888'}, {'key': 'harvest_source_id', 'value': '289ee33f-3b9e-4677-b96f-56659c421105'}, {'key': 'harvest_source_title', 'value': 'nmrXiv Harvester'}]}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'doi': '10.57992/nmrxiv.p98.s863.d4281', 'id': 'nmrxiv-d4281', 'inchi': 'InChI=1S/C25H44O3Si/c1-23(2,3)29(6,7)28-17-14-16-8-9-18-19-10-11-21(26)24(19,4)13-12-20(18)25(16,5)22(27)15-17/h14,17-22,26-27H,8-13,15H2,1-7H3/t17-,18?,19?,20?,21+,22+,24+,25+/m1/s1', 'inchi_key': 'BYIZMXXEFLVSTQ-OGVWNADFSA-N', 'isopen': False, 'language': 'english', 'license_id': 'CC0 1.0 Universal ', 'license_title': ' CC0 1.0 Legal Code ', 'license_url': 'https://creativecommons.org/publicdomain/zero/1.0/legalcode', 'maintainer_email': None, 'measurement_technique': 'correlation spectroscopy', 'measurement_technique_iri': 'CHMO:0000599', 'metadata_created': '2025-03-22T14:45:04.219892', 'metadata_modified': '2025-04-19T13:44:18.073648', 'metadata_published': '2025-03-20 23:01:25', 'name': 'aeiv-022b_c1_c17_diol_c3_otbdms_08-19-2024_full-cosy', 'notes': 'This dataset contains NMR spectra obtained for the sample -AEIV-022B_C1_C17_diol_C3_OTBDMS_08.19.2024_FULL date: 2024-08-19T17:50:13.000Z isFt: true name: AEIV-022B_C1_C17_diol_C3_OTBDMS_08.19.2024_FULL/1 phc0: -20.90166 phc1: 41.54116 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 4.998669471131275 isComplex: true probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298.1505 spectrumSize: 65536 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 8 pulseSequence: zg30 spectralWidth: 19.9946778845251 numberOfPoints: 5 relaxationTime: 1 acquisitionTime: 0.00020000000000017524 frequencyOffset: 3088.3019999805583 originFrequency: 500.133088302 pulseStrength90: 19607.843137254902 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-08-20T03:03:49.000Z isFt: true name: AEIV-022B_C1_C17_diol_C3_OTBDMS_08.19.2024_FULL/10 phc0: -21.62674 phc1: 40.71448 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 4.998669471131275 isComplex: true probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298.1502 spectrumSize: 65536 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 50 pulseSequence: zg30 spectralWidth: 19.9946778845251 numberOfPoints: 5 relaxationTime: 1 acquisitionTime: 0.00020000000000017524 frequencyOffset: 3088.3019999805583 originFrequency: 500.133088302 pulseStrength90: 19607.843137254902 experimentNumber: 10 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-08-20T01:45:21.000Z isFt: true name: AEIV-022B_C1_C17_diol_C3_OTBDMS_08.19.2024_FULL/2 phc0: -17.6228 phc1: -79.96218 type: NMR Spectrum DECIM: 560 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 21 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 47.327373068158664 isComplex: true probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: 1d groupDelay: 76 temperature: 298.1477 spectrumSize: 131072 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 500 pulseSequence: udeft spectralWidth: 283.964238408952 numberOfPoints: 7 relaxationTime: 4 acquisitionTime: 0.00008399999999999987 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 23584.90566037736 experimentNumber: 2 linearPredictionBin: 262144 lpNumberOfCoefficients: 4096 windowMultiplicationMode: 1 date: 2024-08-20T01:48:15.000Z isFt: true name: AEIV-022B_C1_C17_diol_C3_OTBDMS_08.19.2024_FULL/3 phc0: 65.41486 phc1: 171.6144 type: NMR Spectrum DECIM: 992 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 26.717599740426834 isComplex: true probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: dept groupDelay: 67.9840087890625 temperature: 298.1485 spectrumSize: 32768 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 32 pulseSequence: deptsp135 spectralWidth: 160.305598442561 numberOfPoints: 7 relaxationTime: 2 acquisitionTime: 0.0001488000000005666 frequencyOffset: 10060.621999997466 originFrequency: 125.767849148 pulseStrength90: 23584.90566037736 experimentNumber: 3 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-08-20T01:56:06.000Z isFt: true name: AEIV-022B_C1_C17_diol_C3_OTBDMS_08.19.2024_FULL/4 phc0: 44.98304 phc1: 227.4534 type: NMR Spectrum DECIM: 672 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 39.439477556902666 isComplex: true probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: dept groupDelay: 67.9838256835938 temperature: 298.1506 spectrumSize: 32768 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 128 pulseSequence: deptsp90 spectralWidth: 236.636865341416 numberOfPoints: 7 relaxationTime: 2 acquisitionTime: 0.0001007999999997346 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 23584.90566037736 experimentNumber: 4 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-08-20T02:11:28.000Z isFt: true name: AEIV-022B_C1_C17_diol_C3_OTBDMS_08.19.2024_FULL/5 phc0: -159.3368,3.253899 phc1: -12.14621,0 type: NMR Spectrum DECIM: 3080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 21 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 1.62294702731525 isComplex: false probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: hsqc groupDelay: 76 temperature: 298.1497 spectrumSize: 2048,2048 baseFrequency: 500.13,125.757788526 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: hsqcedetgpsisp2.3 spectralWidth: 12.983576218522,164.962602395549 numberOfPoints: 9 relaxationTime: 1.5 acquisitionTime: 0.0006160000000000007 frequencyOffset: 2350.610999997116,9431.835000000887 originFrequency: 500.132350611,125.767220361 pulseStrength90: 19607.843137254902 experimentNumber: 5 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 4,4 date: 2024-08-20T02:33:04.000Z isFt: true name: AEIV-022B_C1_C17_diol_C3_OTBDMS_08.19.2024_FULL/6 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 3080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 3.24589145792955 isComplex: false probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: hmbc groupDelay: 67.985595703125 temperature: 298.1503 spectrumSize: 4096,2048 baseFrequency: 500.13,125.757788526 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: hmbcetgpl3nd spectralWidth: 12.9835658317182,239.487911911164 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.0003079999999999992 frequencyOffset: 2750.714999990578,12575.779000002285 originFrequency: 500.132750715,125.770364305 pulseStrength90: 19607.843137254902 experimentNumber: 6 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,4 date: 2024-08-20T02:35:02.000Z isFt: true name: AEIV-022B_C1_C17_diol_C3_OTBDMS_08.19.2024_FULL/7 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 3080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 3.24588983499355 isComplex: false probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: cosy groupDelay: 67.985595703125 temperature: 298.1508 spectrumSize: 1024,1024 baseFrequency: 500.13,500.13 fieldStrength: 11.746350827011339 numberOfScans: 1 pulseSequence: cosygpppqf spectralWidth: 12.9835593399742,12.9835593399742 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00030800000000000006 frequencyOffset: 3000.779999979386,3000.779999979386 originFrequency: 500.13300078,500.13300078 pulseStrength90: 19607.843137254902 experimentNumber: 7 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2024-08-20T02:57:37.000Z isFt: true name: AEIV-022B_C1_C17_diol_C3_OTBDMS_08.19.2024_FULL/8 phc0: -44.21659,267.9648 phc1: 30.88338,-180 type: NMR Spectrum DECIM: 4000 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 4.998676844130975 isComplex: false probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: noesy groupDelay: 67.9842834472656 temperature: 298.1505 spectrumSize: 1024,1024 baseFrequency: 500.13,500.13 fieldStrength: 11.746350827011339 numberOfScans: 4 pulseSequence: noesygpphpp spectralWidth: 9.99735368826195,9.99735368826195 numberOfPoints: 3 relaxationTime: 2 acquisitionTime: 0.00020000000000000004 frequencyOffset: 2350.610999997116,2350.610999997116 originFrequency: 500.132350611,500.132350611 pulseStrength90: 19607.843137254902 experimentNumber: 8 acquisitionScheme: States-TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 date: 2024-08-20T03:00:53.000Z isFt: true name: AEIV-022B_C1_C17_diol_C3_OTBDMS_08.19.2024_FULL/9 phc0: 0,180 phc1: 0,-180 type: NMR Spectrum DECIM: 4000 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 2.4993384220654873 isComplex: false probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: tocsy groupDelay: 76 temperature: 298.1502 spectrumSize: 2048,1024 baseFrequency: 500.13,500.13 fieldStrength: 11.746350827011339 numberOfScans: 2 pulseSequence: mlevphpr.2 spectralWidth: 9.99735368826195,9.99735368826195 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.0004000000000000001 frequencyOffset: 2350.610999997116,2350.610999997116 originFrequency: 500.132350611,500.132350611 pulseStrength90: 19607.843137254902 experimentNumber: 9 acquisitionScheme: States-TPPI linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '14e443f8-70e7-497d-9785-3727d79901ab', 'name': 'nmrxiv', 'title': 'nmrXiv', 'type': 'repository', 'description': 'The Open, FAIR and Consensus-Driven NMR spectroscopy data repository and analysis platform.', 'image_url': 'nmrXiv_logo.svg', 'created': '2024-04-22T15:05:05.930653', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '14e443f8-70e7-497d-9785-3727d79901ab', 'private': False, 'related_molecule': '[]', 'smiles': 'CC(C)(C)[Si](C)(C)O[C@@H]1C=C2CCC3C4CC[C@H](O)[C@@]4(C)CCC3[C@@]2(C)[C@@H](O)C1', 'state': 'active', 'title': 'AEIV-022B_C1_C17_diol_C3_OTBDMS_08.19.2024_FULL.cosy', 'type': 'dataset', 'url': 'https://nmrxiv.org/D4281', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-04-19T13:44:18.100436', 'format': 'HTML', 'hash': '', 'id': '85044f39-4c8e-44f1-82d8-63f2488aadf2', 'last_modified': None, 'metadata_modified': '2025-04-19T13:44:18.090487', 'mimetype': None, 'mimetype_inner': None, 'name': 'AEIV-022B_C1_C17_diol_C3_OTBDMS_08.19.2024_FULL.cosy', 'package_id': 'nmrxiv-d4281', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://nmrxiv.org/D4281', 'url_type': None}], 'tags': [{'display_name': 'correlation-spectroscopy', 'id': 'faf0ca90-8b2b-47a5-a481-a229ae5d6a6e', 'name': 'correlation-spectroscopy', 'state': 'active', 'vocabulary_id': None}], 'variableMeasured': [{'variableMeasured_name': 'NMR solvent', 'variableMeasured_propertyID': 'NMR:1000330', 'variableMeasured_value': 'CDCl3'}, {'variableMeasured_name': 'acquisition nucleus', 'variableMeasured_propertyID': 'NMR:1400083', 'variableMeasured_value': "['1H', '1H']"}, {'variableMeasured_name': 'NMR spectrum by dimensionality', 'variableMeasured_propertyID': 'NMR:1000117', 'variableMeasured_value': '2'}, {'variableMeasured_name': 'NMR probe', 'variableMeasured_propertyID': 'OBI:0000516', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/OBI_0000516', 'variableMeasured_value': 'Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z)'}, {'variableMeasured_name': 'Temperature', 'variableMeasured_propertyID': 'NCIT:C25206', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C25206', 'variableMeasured_value': '298.1508'}, {'variableMeasured_name': 'irradiation frequency', 'variableMeasured_propertyID': 'NMR:1400026', 'variableMeasured_value': '[500.13, 500.13]'}, {'variableMeasured_name': 'magnetic field strength', 'variableMeasured_propertyID': 'MR:1400253', 'variableMeasured_value': '11.746350827011339'}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': '1'}, {'variableMeasured_name': 'nuclear magnetic resonance pulse sequence', 'variableMeasured_propertyID': 'CHMO:0001841', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/CHMO_0001841', 'variableMeasured_value': 'cosygpppqf'}, {'variableMeasured_name': 'Spectral Width', 'variableMeasured_propertyID': 'NCIT:C156496', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C156496', 'variableMeasured_value': '[12.9835593399742, 12.9835593399742]'}, {'variableMeasured_name': 'number of data points', 'variableMeasured_propertyID': 'NMR:1000176', 'variableMeasured_value': '5'}, {'variableMeasured_name': 'relaxation time measurement', 'variableMeasured_propertyID': 'FIX:0000202', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/FIX_0000202', 'variableMeasured_value': '2'}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': '0d321f9b-35a0-42ec-881b-605d67625163'}, {'key': 'harvest_source_id', 'value': '289ee33f-3b9e-4677-b96f-56659c421105'}, {'key': 'harvest_source_title', 'value': 'nmrXiv Harvester'}]}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'doi': '10.57992/nmrxiv.p98.s872.d4366', 'id': 'nmrxiv-d4366', 'inchi': 'InChI=1S/C25H44O3Si/c1-23(2,3)29(6,7)28-17-14-16-8-9-18-19-10-11-21(26)24(19,4)13-12-20(18)25(16,5)22(27)15-17/h14,17-22,26-27H,8-13,15H2,1-7H3/t17-,18?,19?,20?,21+,22-,24+,25+/m1/s1', 'inchi_key': 'BYIZMXXEFLVSTQ-BIXLPKFSSA-N', 'isopen': False, 'language': 'english', 'license_id': 'CC0 1.0 Universal ', 'license_title': ' CC0 1.0 Legal Code ', 'license_url': 'https://creativecommons.org/publicdomain/zero/1.0/legalcode', 'maintainer_email': None, 'measurement_technique': 'correlation spectroscopy', 'measurement_technique_iri': 'CHMO:0000599', 'metadata_created': '2025-03-22T14:44:57.092586', 'metadata_modified': '2025-04-19T13:44:11.408136', 'metadata_published': '2025-03-20 23:01:25', 'name': '14_aeiv-021b_c1_c17_b_oh_c3_otbdms_08-14-2024_full-cosy', 'notes': 'This dataset contains NMR spectra obtained for the sample -14_AEIV-021B_C1_C17_b_OH_C3_OTBDMS_08.14.2024_FULL date: 2024-08-15T03:07:55.000Z isFt: true name: 14_AEIV-021B_C1_C17_b_OH_C3_OTBDMS_08.14.2024_FULL/1 phc0: -17.67092 phc1: 24.24332 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 1.1108154380291722 isComplex: true probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298.1499 spectrumSize: 65536 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 8 pulseSequence: zg30 spectralWidth: 19.9946778845251 numberOfPoints: 19 relaxationTime: 1 acquisitionTime: 0.0009000000000007886 frequencyOffset: 3088.3019999805583 originFrequency: 500.133088302 pulseStrength90: 19607.843137254902 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-08-15T04:47:42.000Z isFt: true name: 14_AEIV-021B_C1_C17_b_OH_C3_OTBDMS_08.14.2024_FULL/2 phc0: -62.49919 phc1: -10.8652 type: NMR Spectrum DECIM: 560 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 21 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 5.6792847681790395 isComplex: true probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: 1d groupDelay: 76 temperature: 298.15 spectrumSize: 131072 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 400 pulseSequence: udeft spectralWidth: 283.964238408952 numberOfPoints: 51 relaxationTime: 4 acquisitionTime: 0.0006999999999999989 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 23584.90566037736 experimentNumber: 2 linearPredictionBin: 262144 lpNumberOfCoefficients: 4096 windowMultiplicationMode: 1 date: 2024-08-15T03:10:50.000Z isFt: true name: 14_AEIV-021B_C1_C17_b_OH_C3_OTBDMS_08.14.2024_FULL/3 phc0: 51.07062 phc1: 187.2512 type: NMR Spectrum DECIM: 992 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 40.07639961064025 isComplex: true probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: dept groupDelay: 67.9840087890625 temperature: 298.1483 spectrumSize: 32768 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 32 pulseSequence: deptsp135 spectralWidth: 160.305598442561 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00009920000000037773 frequencyOffset: 10060.621999997466 originFrequency: 125.767849148 pulseStrength90: 23584.90566037736 experimentNumber: 3 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-08-15T03:18:41.000Z isFt: true name: 14_AEIV-021B_C1_C17_b_OH_C3_OTBDMS_08.14.2024_FULL/4 phc0: 29.96645 phc1: 231.5874 type: NMR Spectrum DECIM: 672 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 59.159216335354 isComplex: true probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: dept groupDelay: 67.9838256835938 temperature: 298.1496 spectrumSize: 32768 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 128 pulseSequence: deptsp90 spectralWidth: 236.636865341416 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00006719999999982307 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 23584.90566037736 experimentNumber: 4 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-08-15T05:03:03.000Z isFt: true name: 14_AEIV-021B_C1_C17_b_OH_C3_OTBDMS_08.14.2024_FULL/5 phc0: -159.3368,3.253899 phc1: -12.14621,0 type: NMR Spectrum DECIM: 3080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 21 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 3.2458940546305 isComplex: false probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: hsqc groupDelay: 76 temperature: 298.1505 spectrumSize: 2048,2048 baseFrequency: 500.13,125.757788526 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: hsqcedetgpsisp2.3 spectralWidth: 12.983576218522,164.962602395549 numberOfPoints: 5 relaxationTime: 1.5 acquisitionTime: 0.00030800000000000033 frequencyOffset: 2350.610999997116,9431.835000000887 originFrequency: 500.132350611,125.767220361 pulseStrength90: 19607.843137254902 experimentNumber: 5 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 4,4 date: 2024-08-15T05:24:38.000Z isFt: true name: 14_AEIV-021B_C1_C17_b_OH_C3_OTBDMS_08.14.2024_FULL/6 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 3080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 3.24589145792955 isComplex: false probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: hmbc groupDelay: 67.985595703125 temperature: 298.1511 spectrumSize: 4096,2048 baseFrequency: 500.13,125.757788526 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: hmbcetgpl3nd spectralWidth: 12.9835658317182,239.487911911164 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.0003079999999999992 frequencyOffset: 2750.714999990578,12575.779000002285 originFrequency: 500.132750715,125.770364305 pulseStrength90: 19607.843137254902 experimentNumber: 6 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,4 date: 2024-08-15T03:20:45.000Z isFt: true name: 14_AEIV-021B_C1_C17_b_OH_C3_OTBDMS_08.14.2024_FULL/7 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 3080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 3.24588983499355 isComplex: false probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: cosy groupDelay: 67.985595703125 temperature: 298.1511 spectrumSize: 1024,1024 baseFrequency: 500.13,500.13 fieldStrength: 11.746350827011339 numberOfScans: 1 pulseSequence: cosygpppqf spectralWidth: 12.9835593399742,12.9835593399742 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00030800000000000006 frequencyOffset: 3000.779999979386,3000.779999979386 originFrequency: 500.13300078,500.13300078 pulseStrength90: 19607.843137254902 experimentNumber: 7 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2024-08-15T05:47:25.000Z isFt: true name: 14_AEIV-021B_C1_C17_b_OH_C3_OTBDMS_08.14.2024_FULL/8 phc0: -44.21659,267.9648 phc1: 30.88338,-180 type: NMR Spectrum DECIM: 4000 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 3.33245122942065 isComplex: false probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: noesy groupDelay: 67.9842834472656 temperature: 298.1496 spectrumSize: 1024,1024 baseFrequency: 500.13,500.13 fieldStrength: 11.746350827011339 numberOfScans: 4 pulseSequence: noesygpphpp spectralWidth: 9.99735368826195,9.99735368826195 numberOfPoints: 4 relaxationTime: 2 acquisitionTime: 0.00030000000000000003 frequencyOffset: 2350.610999997116,2350.610999997116 originFrequency: 500.132350611,500.132350611 pulseStrength90: 19607.843137254902 experimentNumber: 8 acquisitionScheme: States-TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 date: 2024-08-15T03:24:09.000Z isFt: true name: 14_AEIV-021B_C1_C17_b_OH_C3_OTBDMS_08.14.2024_FULL/9 phc0: 0,180 phc1: 0,-180 type: NMR Spectrum DECIM: 4000 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 2.4993384220654873 isComplex: false probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: tocsy groupDelay: 76 temperature: 298.1499 spectrumSize: 2048,1024 baseFrequency: 500.13,500.13 fieldStrength: 11.746350827011339 numberOfScans: 2 pulseSequence: mlevphpr.2 spectralWidth: 9.99735368826195,9.99735368826195 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.0004000000000000001 frequencyOffset: 2350.610999997116,2350.610999997116 originFrequency: 500.132350611,500.132350611 pulseStrength90: 19607.843137254902 experimentNumber: 9 acquisitionScheme: States-TPPI linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '14e443f8-70e7-497d-9785-3727d79901ab', 'name': 'nmrxiv', 'title': 'nmrXiv', 'type': 'repository', 'description': 'The Open, FAIR and Consensus-Driven NMR spectroscopy data repository and analysis platform.', 'image_url': 'nmrXiv_logo.svg', 'created': '2024-04-22T15:05:05.930653', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '14e443f8-70e7-497d-9785-3727d79901ab', 'private': False, 'related_molecule': '[]', 'smiles': 'CC(C)(C)[Si](C)(C)O[C@@H]1C=C2CCC3C4CC[C@H](O)[C@@]4(C)CCC3[C@@]2(C)[C@H](O)C1', 'state': 'active', 'title': '14_AEIV-021B_C1_C17_b_OH_C3_OTBDMS_08.14.2024_FULL.cosy', 'type': 'dataset', 'url': 'https://nmrxiv.org/D4366', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-04-19T13:44:11.422730', 'format': 'HTML', 'hash': '', 'id': 'd4d87cc5-843f-420c-80e9-37623a9559ca', 'last_modified': None, 'metadata_modified': '2025-04-19T13:44:11.413697', 'mimetype': None, 'mimetype_inner': None, 'name': '14_AEIV-021B_C1_C17_b_OH_C3_OTBDMS_08.14.2024_FULL.cosy', 'package_id': 'nmrxiv-d4366', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://nmrxiv.org/D4366', 'url_type': None}], 'tags': [{'display_name': 'correlation-spectroscopy', 'id': 'faf0ca90-8b2b-47a5-a481-a229ae5d6a6e', 'name': 'correlation-spectroscopy', 'state': 'active', 'vocabulary_id': None}], 'variableMeasured': [{'variableMeasured_name': 'NMR solvent', 'variableMeasured_propertyID': 'NMR:1000330', 'variableMeasured_value': 'CDCl3'}, {'variableMeasured_name': 'acquisition nucleus', 'variableMeasured_propertyID': 'NMR:1400083', 'variableMeasured_value': "['1H', '1H']"}, {'variableMeasured_name': 'NMR spectrum by dimensionality', 'variableMeasured_propertyID': 'NMR:1000117', 'variableMeasured_value': '2'}, {'variableMeasured_name': 'NMR probe', 'variableMeasured_propertyID': 'OBI:0000516', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/OBI_0000516', 'variableMeasured_value': 'Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z)'}, {'variableMeasured_name': 'Temperature', 'variableMeasured_propertyID': 'NCIT:C25206', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C25206', 'variableMeasured_value': '298.1511'}, {'variableMeasured_name': 'irradiation frequency', 'variableMeasured_propertyID': 'NMR:1400026', 'variableMeasured_value': '[500.13, 500.13]'}, {'variableMeasured_name': 'magnetic field strength', 'variableMeasured_propertyID': 'MR:1400253', 'variableMeasured_value': '11.746350827011339'}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': '1'}, {'variableMeasured_name': 'nuclear magnetic resonance pulse sequence', 'variableMeasured_propertyID': 'CHMO:0001841', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/CHMO_0001841', 'variableMeasured_value': 'cosygpppqf'}, {'variableMeasured_name': 'Spectral Width', 'variableMeasured_propertyID': 'NCIT:C156496', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C156496', 'variableMeasured_value': '[12.9835593399742, 12.9835593399742]'}, {'variableMeasured_name': 'number of data points', 'variableMeasured_propertyID': 'NMR:1000176', 'variableMeasured_value': '5'}, {'variableMeasured_name': 'relaxation time measurement', 'variableMeasured_propertyID': 'FIX:0000202', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/FIX_0000202', 'variableMeasured_value': '2'}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': '82d942d9-f139-4760-a79e-994289a77d60'}, {'key': 'harvest_source_id', 'value': '289ee33f-3b9e-4677-b96f-56659c421105'}, {'key': 'harvest_source_title', 'value': 'nmrXiv Harvester'}]}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'doi': '10.57992/nmrxiv.p98.s870.d4347', 'id': 'nmrxiv-d4347', 'inchi': 'InChI=1S/C25H44O3Si.C2H6/c1-23(2,3)29(6,7)28-17-14-16-8-9-18-19-10-11-21(26)24(19,4)13-12-20(18)25(16,5)22(27)15-17;1-2/h14,17-22,26-27H,8-13,15H2,1-7H3;1-2H3/t17-,18?,19?,20?,21+,22-,24+,25+;/m1./s1/i21D,22D;', 'inchi_key': 'UVCOMUSIWVTRAW-BZIGOVRDSA-N', 'isopen': False, 'language': 'english', 'license_id': 'CC0 1.0 Universal ', 'license_title': ' CC0 1.0 Legal Code ', 'license_url': 'https://creativecommons.org/publicdomain/zero/1.0/legalcode', 'maintainer_email': None, 'measurement_technique': 'correlation spectroscopy', 'measurement_technique_iri': 'CHMO:0000599', 'metadata_created': '2025-03-22T14:44:46.884353', 'metadata_modified': '2025-04-19T13:44:02.142132', 'metadata_published': '2025-03-20 23:01:25', 'name': 'aeiv-086b_c1_c17_b_diol_c3_otbdms_deuterated_03-05-2025_full-cosy', 'notes': 'This dataset contains NMR spectra obtained for the sample -AEIV-086B_C1_C17_b_diol_C3_OTBDMS_deuterated_03.05.2025_FULL date: 2025-03-06T04:36:29.000Z isFt: true name: AEIV-086B_C1_C17_b_diol_C3_OTBDMS_deuterated_03.05.2025_FULL/1 phc0: -59.77311 phc1: 41.70211 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 4.998669471131275 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298.1502 spectrumSize: 65536 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 200 pulseSequence: zg30 spectralWidth: 19.9946778845251 numberOfPoints: 5 relaxationTime: 1 acquisitionTime: 0.00020000000000017524 frequencyOffset: 3088.3019999805583 originFrequency: 500.133088302 pulseStrength90: 23809.52380952381 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2025-03-06T06:50:30.000Z isFt: true name: AEIV-086B_C1_C17_b_diol_C3_OTBDMS_deuterated_03.05.2025_FULL/10 phc0: -31.63126 phc1: 255.6108 type: NMR Spectrum DECIM: 992 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 40.07639961064025 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: dept groupDelay: 67.9840087890625 temperature: 298.1515 spectrumSize: 32768 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 32 pulseSequence: deptsp135 spectralWidth: 160.305598442561 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00009920000000037773 frequencyOffset: 10060.621999997466 originFrequency: 125.767849148 pulseStrength90: 14662.756598240469 experimentNumber: 10 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2025-03-06T04:52:39.000Z isFt: true name: AEIV-086B_C1_C17_b_diol_C3_OTBDMS_deuterated_03.05.2025_FULL/2 phc0: -20.12515 phc1: -98.73821 type: NMR Spectrum DECIM: 21706.6666666667 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 2H reverse: false solvent: CDCl3 dimension: 1 increment: 3.000307377442475 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9847564697266 temperature: 298.1499 spectrumSize: 65536 baseFrequency: 76.773 fieldStrength: 11.746718265873575 numberOfScans: 300 pulseSequence: zg2h spectralWidth: 12.0012295097699 numberOfPoints: 5 relaxationTime: 1 acquisitionTime: 0.002170666666666662 frequencyOffset: 460.6380000069521 originFrequency: 76.773460638 pulseStrength90: 1000 experimentNumber: 2 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2025-03-06T05:34:45.000Z isFt: true name: AEIV-086B_C1_C17_b_diol_C3_OTBDMS_deuterated_03.05.2025_FULL/3 phc0: -86.08632 phc1: -33.94525 type: NMR Spectrum DECIM: 560 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 21 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 40.56631977270742 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 76 temperature: 298.1491 spectrumSize: 131072 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 500 pulseSequence: udeft spectralWidth: 283.964238408952 numberOfPoints: 8 relaxationTime: 4 acquisitionTime: 0.00009799999999999985 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 14662.756598240469 experimentNumber: 3 linearPredictionBin: 262144 lpNumberOfCoefficients: 4096 windowMultiplicationMode: 1 date: 2025-03-06T05:50:07.000Z isFt: true name: AEIV-086B_C1_C17_b_diol_C3_OTBDMS_deuterated_03.05.2025_FULL/4 phc0: -157.9219,-1.861549 phc1: -3.142803,0 type: NMR Spectrum DECIM: 3080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 21 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 3.2458940546305 isComplex: false probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hsqc groupDelay: 76 temperature: 298.1507 spectrumSize: 2048,2048 baseFrequency: 500.13,125.757788526 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: hsqcedetgpsisp2.3 spectralWidth: 12.983576218522,199.776832419684 numberOfPoints: 5 relaxationTime: 1.5 acquisitionTime: 0.00030800000000000033 frequencyOffset: 2350.610999997116,10689.412025001842 originFrequency: 500.132350611,125.768477938025 pulseStrength90: 23809.52380952381 experimentNumber: 4 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 4,4 date: 2025-03-06T06:11:43.000Z isFt: true name: AEIV-086B_C1_C17_b_diol_C3_OTBDMS_deuterated_03.05.2025_FULL/5 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 3080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 3.24589145792955 isComplex: false probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hmbc groupDelay: 67.985595703125 temperature: 298.1505 spectrumSize: 4096,2048 baseFrequency: 500.13,125.757788526 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: hmbcetgpl3nd spectralWidth: 12.9835658317182,239.487911911164 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.0003079999999999992 frequencyOffset: 2750.714999990578,12575.779000002285 originFrequency: 500.132750715,125.770364305 pulseStrength90: 23809.52380952381 experimentNumber: 5 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,4 date: 2025-03-06T06:13:42.000Z isFt: true name: AEIV-086B_C1_C17_b_diol_C3_OTBDMS_deuterated_03.05.2025_FULL/6 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 3080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 3.24588983499355 isComplex: false probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: cosy groupDelay: 67.985595703125 temperature: 298.1497 spectrumSize: 1024,1024 baseFrequency: 500.13,500.13 fieldStrength: 11.746350827011339 numberOfScans: 1 pulseSequence: cosygpppqf spectralWidth: 12.9835593399742,12.9835593399742 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00030800000000000006 frequencyOffset: 3000.779999979386,3000.779999979386 originFrequency: 500.13300078,500.13300078 pulseStrength90: 23809.52380952381 experimentNumber: 6 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2025-03-06T06:36:27.000Z isFt: true name: AEIV-086B_C1_C17_b_diol_C3_OTBDMS_deuterated_03.05.2025_FULL/7 phc0: -44.21659,267.9648 phc1: 30.88338,-180 type: NMR Spectrum DECIM: 4000 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 3.33245122942065 isComplex: false probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: noesy groupDelay: 67.9842834472656 temperature: 298.1516 spectrumSize: 1024,1024 baseFrequency: 500.13,500.13 fieldStrength: 11.746350827011339 numberOfScans: 4 pulseSequence: noesygpphpp spectralWidth: 9.99735368826195,9.99735368826195 numberOfPoints: 4 relaxationTime: 2 acquisitionTime: 0.00030000000000000003 frequencyOffset: 2350.610999997116,2350.610999997116 originFrequency: 500.132350611,500.132350611 pulseStrength90: 23809.52380952381 experimentNumber: 7 acquisitionScheme: States-TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 date: 2025-03-06T06:39:45.000Z isFt: true name: AEIV-086B_C1_C17_b_diol_C3_OTBDMS_deuterated_03.05.2025_FULL/8 phc0: 0,180 phc1: 0,-180 type: NMR Spectrum DECIM: 4000 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 2.4993384220654873 isComplex: false probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: tocsy groupDelay: 76 temperature: 298.1506 spectrumSize: 2048,1024 baseFrequency: 500.13,500.13 fieldStrength: 11.746350827011339 numberOfScans: 2 pulseSequence: mlevphpr.2 spectralWidth: 9.99735368826195,9.99735368826195 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.0004000000000000001 frequencyOffset: 2350.610999997116,2350.610999997116 originFrequency: 500.132350611,500.132350611 pulseStrength90: 23809.52380952381 experimentNumber: 8 acquisitionScheme: States-TPPI linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2025-03-06T06:47:37.000Z isFt: true name: AEIV-086B_C1_C17_b_diol_C3_OTBDMS_deuterated_03.05.2025_FULL/9 phc0: -238.0224 phc1: 74.32818 type: NMR Spectrum DECIM: 672 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 59.159216335354 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: dept groupDelay: 67.9838256835938 temperature: 298.1495 spectrumSize: 32768 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 128 pulseSequence: deptsp90 spectralWidth: 236.636865341416 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00006719999999982307 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 14662.756598240469 experimentNumber: 9 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '14e443f8-70e7-497d-9785-3727d79901ab', 'name': 'nmrxiv', 'title': 'nmrXiv', 'type': 'repository', 'description': 'The Open, FAIR and Consensus-Driven NMR spectroscopy data repository and analysis platform.', 'image_url': 'nmrXiv_logo.svg', 'created': '2024-04-22T15:05:05.930653', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '14e443f8-70e7-497d-9785-3727d79901ab', 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None}], 'variableMeasured': [{'variableMeasured_name': 'NMR solvent', 'variableMeasured_propertyID': 'NMR:1000330', 'variableMeasured_value': 'CDCl3'}, {'variableMeasured_name': 'acquisition nucleus', 'variableMeasured_propertyID': 'NMR:1400083', 'variableMeasured_value': "['1H', '1H']"}, {'variableMeasured_name': 'NMR spectrum by dimensionality', 'variableMeasured_propertyID': 'NMR:1000117', 'variableMeasured_value': '2'}, {'variableMeasured_name': 'NMR probe', 'variableMeasured_propertyID': 'OBI:0000516', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/OBI_0000516', 'variableMeasured_value': 'Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z)'}, {'variableMeasured_name': 'Temperature', 'variableMeasured_propertyID': 'NCIT:C25206', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C25206', 'variableMeasured_value': '298.1497'}, {'variableMeasured_name': 'irradiation frequency', 'variableMeasured_propertyID': 'NMR:1400026', 'variableMeasured_value': '[500.13, 500.13]'}, {'variableMeasured_name': 'magnetic field strength', 'variableMeasured_propertyID': 'MR:1400253', 'variableMeasured_value': '11.746350827011339'}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': '1'}, {'variableMeasured_name': 'nuclear magnetic resonance pulse sequence', 'variableMeasured_propertyID': 'CHMO:0001841', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/CHMO_0001841', 'variableMeasured_value': 'cosygpppqf'}, {'variableMeasured_name': 'Spectral Width', 'variableMeasured_propertyID': 'NCIT:C156496', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C156496', 'variableMeasured_value': '[12.9835593399742, 12.9835593399742]'}, {'variableMeasured_name': 'number of data points', 'variableMeasured_propertyID': 'NMR:1000176', 'variableMeasured_value': '5'}, {'variableMeasured_name': 'relaxation time measurement', 'variableMeasured_propertyID': 'FIX:0000202', 'variableMeasured_tsurl': 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'correlation spectroscopy', 'measurement_technique_iri': 'CHMO:0000599', 'metadata_created': '2025-03-22T14:44:35.854219', 'metadata_modified': '2025-04-19T13:43:52.903558', 'metadata_published': '2025-03-20 23:01:25', 'name': '2_aev-017b1_1_b_oh_t_02-27-2025_full-cosy', 'notes': 'This dataset contains NMR spectra obtained for the sample -2_AEV-017B1_1_b_OH_T_02.27.2025_FULL date: 2025-02-28T02:04:10.000Z isFt: true name: 2_AEV-017B1_1_b_OH_T_02.27.2025_FULL/1 phc0: -74.68555 phc1: 62.31099 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 0.7140956387330393 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298.1501 spectrumSize: 65536 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 8 pulseSequence: zg30 spectralWidth: 19.9946778845251 numberOfPoints: 29 relaxationTime: 1 acquisitionTime: 0.0014000000000012267 frequencyOffset: 3088.3019999805583 originFrequency: 500.133088302 pulseStrength90: 23809.52380952381 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2025-02-28T02:44:50.000Z isFt: true name: 2_AEV-017B1_1_b_OH_T_02.27.2025_FULL/2 phc0: -91.16541 phc1: -29.8633 type: NMR Spectrum DECIM: 560 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 21 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 3.736371558012526 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 76 temperature: 298.1516 spectrumSize: 131072 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 500 pulseSequence: udeft spectralWidth: 283.964238408952 numberOfPoints: 77 relaxationTime: 4 acquisitionTime: 0.0010639999999999983 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 14662.756598240469 experimentNumber: 2 linearPredictionBin: 262144 lpNumberOfCoefficients: 4096 windowMultiplicationMode: 1 date: 2025-02-28T02:52:41.000Z isFt: true name: 2_AEV-017B1_1_b_OH_T_02.27.2025_FULL/3 phc0: 64.49976 phc1: 141.1743 type: NMR Spectrum DECIM: 672 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 59.159216335354 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: dept groupDelay: 67.9838256835938 temperature: 298.1513 spectrumSize: 32768 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 128 pulseSequence: deptsp90 spectralWidth: 236.636865341416 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00006719999999982307 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 14662.756598240469 experimentNumber: 3 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2025-02-28T02:55:35.000Z isFt: true name: 2_AEV-017B1_1_b_OH_T_02.27.2025_FULL/4 phc0: 364.2487 phc1: 205.2397 type: NMR Spectrum DECIM: 992 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 32.0611196885122 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: dept groupDelay: 67.9840087890625 temperature: 298.1498 spectrumSize: 32768 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 32 pulseSequence: deptsp135 spectralWidth: 160.305598442561 numberOfPoints: 6 relaxationTime: 2 acquisitionTime: 0.00012400000000047218 frequencyOffset: 10060.621999997466 originFrequency: 125.767849148 pulseStrength90: 14662.756598240469 experimentNumber: 4 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2025-02-28T03:10:57.000Z isFt: true name: 2_AEV-017B1_1_b_OH_T_02.27.2025_FULL/5 phc0: -157.9219,-1.861549 phc1: -3.142803,0 type: NMR Spectrum DECIM: 3080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 21 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 1.62294702731525 isComplex: false probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hsqc groupDelay: 76 temperature: 298.1497 spectrumSize: 2048,2048 baseFrequency: 500.13,125.757788526 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: hsqcedetgpsisp2.3 spectralWidth: 12.983576218522,199.776832419684 numberOfPoints: 9 relaxationTime: 1.5 acquisitionTime: 0.0006160000000000007 frequencyOffset: 2350.610999997116,10689.412025001842 originFrequency: 500.132350611,125.768477938025 pulseStrength90: 23809.52380952381 experimentNumber: 5 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 4,4 date: 2025-02-28T03:32:32.000Z isFt: true name: 2_AEV-017B1_1_b_OH_T_02.27.2025_FULL/6 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 3080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 3.24589145792955 isComplex: false probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hmbc groupDelay: 67.985595703125 temperature: 298.149 spectrumSize: 4096,2048 baseFrequency: 500.13,125.757788526 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: hmbcetgpl3nd spectralWidth: 12.9835658317182,239.487911911164 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.0003079999999999992 frequencyOffset: 2750.714999990578,12575.779000002285 originFrequency: 500.132750715,125.770364305 pulseStrength90: 23809.52380952381 experimentNumber: 6 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,4 date: 2025-02-28T03:34:33.000Z isFt: true name: 2_AEV-017B1_1_b_OH_T_02.27.2025_FULL/7 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 3080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 3.24588983499355 isComplex: false probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: cosy groupDelay: 67.985595703125 temperature: 298.152 spectrumSize: 1024,1024 baseFrequency: 500.13,500.13 fieldStrength: 11.746350827011339 numberOfScans: 1 pulseSequence: cosygpppqf spectralWidth: 12.9835593399742,12.9835593399742 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00030800000000000006 frequencyOffset: 3000.779999979386,3000.779999979386 originFrequency: 500.13300078,500.13300078 pulseStrength90: 23809.52380952381 experimentNumber: 7 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2025-02-28T03:57:08.000Z isFt: true name: 2_AEV-017B1_1_b_OH_T_02.27.2025_FULL/8 phc0: -44.21659,267.9648 phc1: 30.88338,-180 type: NMR Spectrum DECIM: 4000 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 2.4993384220654873 isComplex: false probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: noesy groupDelay: 67.9842834472656 temperature: 298.1471 spectrumSize: 1024,1024 baseFrequency: 500.13,500.13 fieldStrength: 11.746350827011339 numberOfScans: 4 pulseSequence: noesygpphpp spectralWidth: 9.99735368826195,9.99735368826195 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.0004000000000000001 frequencyOffset: 2350.610999997116,2350.610999997116 originFrequency: 500.132350611,500.132350611 pulseStrength90: 23809.52380952381 experimentNumber: 8 acquisitionScheme: States-TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 date: 2025-02-28T04:00:26.000Z isFt: true name: 2_AEV-017B1_1_b_OH_T_02.27.2025_FULL/9 phc0: 0,180 phc1: 0,-180 type: NMR Spectrum DECIM: 4000 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 2.4993384220654873 isComplex: false probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: tocsy groupDelay: 76 temperature: 298.1517 spectrumSize: 2048,1024 baseFrequency: 500.13,500.13 fieldStrength: 11.746350827011339 numberOfScans: 2 pulseSequence: mlevphpr.2 spectralWidth: 9.99735368826195,9.99735368826195 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.0004000000000000001 frequencyOffset: 2350.610999997116,2350.610999997116 originFrequency: 500.132350611,500.132350611 pulseStrength90: 23809.52380952381 experimentNumber: 9 acquisitionScheme: States-TPPI linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 isFt: true last: -5266.78173828125,-3.7815237045288085938,-4.6683344841003417969,2 name: 2_ANNA_COMPOUNDJ type: NMRSPECTRUM first: 30447.50341796875,5.1952486038208007812,-4.4664921760559082031,1 isFid: false lastX: -5266.78173828125 title: 2_AEV-017B1_1_b_OH_T_02.27.2025_FULL firstX: 30447.50341796875 varDim: 32768,32768,32768,2 nucleus: 13C solvent: 5 symbols: X,R,I,N dataClass: NTUPLES dimension: 1 isComplex: true experiment: 1d pulseSequence: udeft spectralWidth: 283.99266240187126 numberOfPoints: 32768 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 125.75777435302734', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '14e443f8-70e7-497d-9785-3727d79901ab', 'name': 'nmrxiv', 'title': 'nmrXiv', 'type': 'repository', 'description': 'The Open, FAIR and Consensus-Driven NMR spectroscopy data repository and analysis platform.', 'image_url': 'nmrXiv_logo.svg', 'created': '2024-04-22T15:05:05.930653', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '14e443f8-70e7-497d-9785-3727d79901ab', 'private': False, 'related_molecule': '[]', 'smiles': 'C[C@]12C(CCC3C1CC[C@@]1(C)C3CC[C@@H]1O)CC(=O)C[C@H]2O', 'state': 'active', 'title': '2_AEV-017B1_1_b_OH_T_02.27.2025_FULL.cosy', 'type': 'dataset', 'url': 'https://nmrxiv.org/D4309', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-04-19T13:43:52.917293', 'format': 'HTML', 'hash': '', 'id': '4c31ffcd-be17-47d4-85e3-1a21cc93316b', 'last_modified': None, 'metadata_modified': '2025-04-19T13:43:52.908917', 'mimetype': None, 'mimetype_inner': None, 'name': '2_AEV-017B1_1_b_OH_T_02.27.2025_FULL.cosy', 'package_id': 'nmrxiv-d4309', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://nmrxiv.org/D4309', 'url_type': None}], 'tags': [{'display_name': 'correlation-spectroscopy', 'id': 'faf0ca90-8b2b-47a5-a481-a229ae5d6a6e', 'name': 'correlation-spectroscopy', 'state': 'active', 'vocabulary_id': None}], 'variableMeasured': [{'variableMeasured_name': 'NMR solvent', 'variableMeasured_propertyID': 'NMR:1000330', 'variableMeasured_value': 'CDCl3'}, {'variableMeasured_name': 'acquisition nucleus', 'variableMeasured_propertyID': 'NMR:1400083', 'variableMeasured_value': "['1H', '1H']"}, {'variableMeasured_name': 'NMR spectrum by dimensionality', 'variableMeasured_propertyID': 'NMR:1000117', 'variableMeasured_value': '2'}, {'variableMeasured_name': 'NMR probe', 'variableMeasured_propertyID': 'OBI:0000516', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/OBI_0000516', 'variableMeasured_value': 'Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z)'}, {'variableMeasured_name': 'Temperature', 'variableMeasured_propertyID': 'NCIT:C25206', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C25206', 'variableMeasured_value': '298.152'}, {'variableMeasured_name': 'irradiation frequency', 'variableMeasured_propertyID': 'NMR:1400026', 'variableMeasured_value': '[500.13, 500.13]'}, {'variableMeasured_name': 'magnetic field strength', 'variableMeasured_propertyID': 'MR:1400253', 'variableMeasured_value': '11.746350827011339'}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': '1'}, {'variableMeasured_name': 'nuclear magnetic resonance pulse sequence', 'variableMeasured_propertyID': 'CHMO:0001841', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/CHMO_0001841', 'variableMeasured_value': 'cosygpppqf'}, {'variableMeasured_name': 'Spectral Width', 'variableMeasured_propertyID': 'NCIT:C156496', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C156496', 'variableMeasured_value': '[12.9835593399742, 12.9835593399742]'}, {'variableMeasured_name': 'number of data points', 'variableMeasured_propertyID': 'NMR:1000176', 'variableMeasured_value': '5'}, {'variableMeasured_name': 'relaxation time measurement', 'variableMeasured_propertyID': 'FIX:0000202', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/FIX_0000202', 'variableMeasured_value': '2'}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': 'cfe203fd-57c6-45c1-9eb9-8cd3a3368963'}, {'key': 'harvest_source_id', 'value': '289ee33f-3b9e-4677-b96f-56659c421105'}, {'key': 'harvest_source_title', 'value': 'nmrXiv Harvester'}]}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'doi': '10.57992/nmrxiv.p98.s868.d4328', 'id': 'nmrxiv-d4328', 'inchi': 'InChI=1S/C19H30O3/c1-18-8-7-15-13(14(18)5-6-16(18)21)4-3-11-9-12(20)10-17(22)19(11,15)2/h9,12-17,20-22H,3-8,10H2,1-2H3/t12-,13?,14?,15?,16+,17+,18+,19+/m1/s1', 'inchi_key': 'WQJPXGINJISIRJ-YAUITSCLSA-N', 'isopen': False, 'language': 'english', 'license_id': 'CC0 1.0 Universal ', 'license_title': ' CC0 1.0 Legal Code ', 'license_url': 'https://creativecommons.org/publicdomain/zero/1.0/legalcode', 'maintainer_email': None, 'measurement_technique': 'correlation spectroscopy', 'measurement_technique_iri': 'CHMO:0000599', 'metadata_created': '2025-03-22T14:44:30.178918', 'metadata_modified': '2025-04-19T13:43:48.431152', 'metadata_published': '2025-03-20 23:01:25', 'name': '11_aeiii-041e_c1_c3_c17_a_triol_08-23-2024_full-cosy', 'notes': 'This dataset contains NMR spectra obtained for the sample -11_AEIII-041E_C1_C3_C17_a_triol_08.23.2024_FULL date: 2024-08-24T01:26:23.000Z isFt: true name: 11_AEIII-041E_C1_C3_C17_a_triol_08.23.2024_FULL/1 phc0: -18.5531 phc1: 31.62018 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 1.99946778845251 isComplex: true probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298.1497 spectrumSize: 65536 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 500 pulseSequence: zg30 spectralWidth: 19.9946778845251 numberOfPoints: 11 relaxationTime: 1 acquisitionTime: 0.0005000000000004381 frequencyOffset: 3088.3019999805583 originFrequency: 500.133088302 pulseStrength90: 19607.843137254902 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-08-24T02:06:58.000Z isFt: true name: 11_AEIII-041E_C1_C3_C17_a_triol_08.23.2024_FULL/2 phc0: -133.9911 phc1: 122.2289 type: NMR Spectrum DECIM: 560 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 21 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 7.0991059602238 isComplex: true probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: 1d groupDelay: 76 temperature: 298.1502 spectrumSize: 131072 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 500 pulseSequence: udeft spectralWidth: 283.964238408952 numberOfPoints: 41 relaxationTime: 4 acquisitionTime: 0.0005599999999999992 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 23584.90566037736 experimentNumber: 2 linearPredictionBin: 262144 lpNumberOfCoefficients: 4096 windowMultiplicationMode: 1 date: 2024-08-24T02:14:49.000Z isFt: true name: 11_AEIII-041E_C1_C3_C17_a_triol_08.23.2024_FULL/3 phc0: 78.65775 phc1: 156.9174 type: NMR Spectrum DECIM: 672 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 59.159216335354 isComplex: true probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: dept groupDelay: 67.9838256835938 temperature: 298.1508 spectrumSize: 32768 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 128 pulseSequence: deptsp90 spectralWidth: 236.636865341416 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00006719999999982307 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 23584.90566037736 experimentNumber: 3 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-08-24T02:17:44.000Z isFt: true name: 11_AEIII-041E_C1_C3_C17_a_triol_08.23.2024_FULL/4 phc0: 22.34933 phc1: 235.0014 type: NMR Spectrum DECIM: 992 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 40.07639961064025 isComplex: true probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: dept groupDelay: 67.9840087890625 temperature: 298.1472 spectrumSize: 32768 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 32 pulseSequence: deptsp135 spectralWidth: 160.305598442561 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00009920000000037773 frequencyOffset: 10060.621999997466 originFrequency: 125.767849148 pulseStrength90: 23584.90566037736 experimentNumber: 4 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-08-24T02:33:05.000Z isFt: true name: 11_AEIII-041E_C1_C3_C17_a_triol_08.23.2024_FULL/5 phc0: -159.3368,3.253899 phc1: -12.14621,0 type: NMR Spectrum DECIM: 3080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 21 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 3.2458940546305 isComplex: false probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: hsqc groupDelay: 76 temperature: 298.1488 spectrumSize: 2048,2048 baseFrequency: 500.13,125.757788526 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: hsqcedetgpsisp2.3 spectralWidth: 12.983576218522,164.962602395549 numberOfPoints: 5 relaxationTime: 1.5 acquisitionTime: 0.00030800000000000033 frequencyOffset: 2350.610999997116,9431.835000000887 originFrequency: 500.132350611,125.767220361 pulseStrength90: 19607.843137254902 experimentNumber: 5 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 4,4 date: 2024-08-24T02:54:40.000Z isFt: true name: 11_AEIII-041E_C1_C3_C17_a_triol_08.23.2024_FULL/6 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 3080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 3.24589145792955 isComplex: false probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: hmbc groupDelay: 67.985595703125 temperature: 298.1502 spectrumSize: 4096,2048 baseFrequency: 500.13,125.757788526 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: hmbcetgpl3nd spectralWidth: 12.9835658317182,239.487911911164 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.0003079999999999992 frequencyOffset: 2750.714999990578,12575.779000002285 originFrequency: 500.132750715,125.770364305 pulseStrength90: 19607.843137254902 experimentNumber: 6 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,4 date: 2024-08-24T02:56:40.000Z isFt: true name: 11_AEIII-041E_C1_C3_C17_a_triol_08.23.2024_FULL/7 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 3080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 3.24588983499355 isComplex: false probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: cosy groupDelay: 67.985595703125 temperature: 298.1512 spectrumSize: 1024,1024 baseFrequency: 500.13,500.13 fieldStrength: 11.746350827011339 numberOfScans: 1 pulseSequence: cosygpppqf spectralWidth: 12.9835593399742,12.9835593399742 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00030800000000000006 frequencyOffset: 3000.779999979386,3000.779999979386 originFrequency: 500.13300078,500.13300078 pulseStrength90: 19607.843137254902 experimentNumber: 7 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2024-08-24T03:19:16.000Z isFt: true name: 11_AEIII-041E_C1_C3_C17_a_triol_08.23.2024_FULL/8 phc0: -44.21659,267.9648 phc1: 30.88338,-180 type: NMR Spectrum DECIM: 4000 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 4.998676844130975 isComplex: false probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: noesy groupDelay: 67.9842834472656 temperature: 298.1497 spectrumSize: 1024,1024 baseFrequency: 500.13,500.13 fieldStrength: 11.746350827011339 numberOfScans: 4 pulseSequence: noesygpphpp spectralWidth: 9.99735368826195,9.99735368826195 numberOfPoints: 3 relaxationTime: 2 acquisitionTime: 0.00020000000000000004 frequencyOffset: 2350.610999997116,2350.610999997116 originFrequency: 500.132350611,500.132350611 pulseStrength90: 19607.843137254902 experimentNumber: 8 acquisitionScheme: States-TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 date: 2024-08-24T03:22:33.000Z isFt: true name: 11_AEIII-041E_C1_C3_C17_a_triol_08.23.2024_FULL/9 phc0: 0,180 phc1: 0,-180 type: NMR Spectrum DECIM: 4000 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 2.4993384220654873 isComplex: false probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: tocsy groupDelay: 76 temperature: 298.1496 spectrumSize: 2048,1024 baseFrequency: 500.13,500.13 fieldStrength: 11.746350827011339 numberOfScans: 2 pulseSequence: mlevphpr.2 spectralWidth: 9.99735368826195,9.99735368826195 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.0004000000000000001 frequencyOffset: 2350.610999997116,2350.610999997116 originFrequency: 500.132350611,500.132350611 pulseStrength90: 19607.843137254902 experimentNumber: 9 acquisitionScheme: States-TPPI linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '14e443f8-70e7-497d-9785-3727d79901ab', 'name': 'nmrxiv', 'title': 'nmrXiv', 'type': 'repository', 'description': 'The Open, FAIR and Consensus-Driven NMR spectroscopy data repository and analysis platform.', 'image_url': 'nmrXiv_logo.svg', 'created': '2024-04-22T15:05:05.930653', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '14e443f8-70e7-497d-9785-3727d79901ab', 'private': False, 'related_molecule': '[]', 'smiles': 'C[C@]12CCC3C(CCC4=C[C@@H](O)C[C@H](O)[C@@]43C)C1CC[C@@H]2O', 'state': 'active', 'title': '11_AEIII-041E_C1_C3_C17_a_triol_08.23.2024_FULL.cosy', 'type': 'dataset', 'url': 'https://nmrxiv.org/D4328', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-04-19T13:43:48.446882', 'format': 'HTML', 'hash': '', 'id': 'cee46473-cefb-44cc-8614-9913cef12281', 'last_modified': None, 'metadata_modified': '2025-04-19T13:43:48.437129', 'mimetype': None, 'mimetype_inner': None, 'name': '11_AEIII-041E_C1_C3_C17_a_triol_08.23.2024_FULL.cosy', 'package_id': 'nmrxiv-d4328', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://nmrxiv.org/D4328', 'url_type': None}], 'tags': [{'display_name': 'correlation-spectroscopy', 'id': 'faf0ca90-8b2b-47a5-a481-a229ae5d6a6e', 'name': 'correlation-spectroscopy', 'state': 'active', 'vocabulary_id': None}], 'variableMeasured': [{'variableMeasured_name': 'NMR solvent', 'variableMeasured_propertyID': 'NMR:1000330', 'variableMeasured_value': 'CDCl3'}, {'variableMeasured_name': 'acquisition nucleus', 'variableMeasured_propertyID': 'NMR:1400083', 'variableMeasured_value': "['1H', '1H']"}, {'variableMeasured_name': 'NMR spectrum by dimensionality', 'variableMeasured_propertyID': 'NMR:1000117', 'variableMeasured_value': '2'}, {'variableMeasured_name': 'NMR probe', 'variableMeasured_propertyID': 'OBI:0000516', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/OBI_0000516', 'variableMeasured_value': 'Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z)'}, {'variableMeasured_name': 'Temperature', 'variableMeasured_propertyID': 'NCIT:C25206', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C25206', 'variableMeasured_value': '298.1512'}, {'variableMeasured_name': 'irradiation frequency', 'variableMeasured_propertyID': 'NMR:1400026', 'variableMeasured_value': '[500.13, 500.13]'}, {'variableMeasured_name': 'magnetic field strength', 'variableMeasured_propertyID': 'MR:1400253', 'variableMeasured_value': '11.746350827011339'}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': '1'}, {'variableMeasured_name': 'nuclear magnetic resonance pulse sequence', 'variableMeasured_propertyID': 'CHMO:0001841', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/CHMO_0001841', 'variableMeasured_value': 'cosygpppqf'}, {'variableMeasured_name': 'Spectral Width', 'variableMeasured_propertyID': 'NCIT:C156496', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C156496', 'variableMeasured_value': '[12.9835593399742, 12.9835593399742]'}, {'variableMeasured_name': 'number of data points', 'variableMeasured_propertyID': 'NMR:1000176', 'variableMeasured_value': '5'}, {'variableMeasured_name': 'relaxation time measurement', 'variableMeasured_propertyID': 'FIX:0000202', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/FIX_0000202', 'variableMeasured_value': '2'}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': '1c5a4854-87d0-436b-9380-52763c82e0f4'}, {'key': 'harvest_source_id', 'value': '289ee33f-3b9e-4677-b96f-56659c421105'}, {'key': 'harvest_source_title', 'value': 'nmrXiv Harvester'}]}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'doi': '10.57992/nmrxiv.p98.s865.d4299', 'id': 'nmrxiv-d4299', 'inchi': 'InChI=1S/C25H40O3Si/c1-23(2,3)29(6,7)28-17-14-16-8-9-18-19-10-11-21(26)24(19,4)13-12-20(18)25(16,5)22(27)15-17/h14,17-20H,8-13,15H2,1-7H3/t17-,18?,19?,20?,24+,25+/m1/s1', 'inchi_key': 'WATRTLFPLVDPLA-MARXURJUSA-N', 'isopen': False, 'language': 'english', 'license_id': 'CC0 1.0 Universal ', 'license_title': ' CC0 1.0 Legal Code ', 'license_url': 'https://creativecommons.org/publicdomain/zero/1.0/legalcode', 'maintainer_email': None, 'measurement_technique': 'correlation spectroscopy', 'measurement_technique_iri': 'CHMO:0000599', 'metadata_created': '2025-03-22T14:44:27.817717', 'metadata_modified': '2025-04-19T13:43:46.255645', 'metadata_published': '2025-03-20 23:01:25', 'name': '13_aeiii-066b_c1_c17_diketo_c3_otbdms_08-14-2024_full-cosy', 'notes': 'This dataset contains NMR spectra obtained for the sample -13_AEIII-066B_C1_C17_diketo_C3_OTBDMS_08.14.2024_FULL date: 2024-08-15T01:04:38.000Z isFt: true name: 13_AEIII-066B_C1_C17_diketo_C3_OTBDMS_08.14.2024_FULL/1 phc0: -24.81189 phc1: 38.58854 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 0.4998669471131275 isComplex: true probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298.1484 spectrumSize: 65536 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 8 pulseSequence: zg30 spectralWidth: 19.9946778845251 numberOfPoints: 41 relaxationTime: 1 acquisitionTime: 0.0020000000000017525 frequencyOffset: 3088.3019999805583 originFrequency: 500.133088302 pulseStrength90: 19607.843137254902 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-08-15T01:44:48.000Z isFt: true name: 13_AEIII-066B_C1_C17_diketo_C3_OTBDMS_08.14.2024_FULL/2 phc0: -56.85644 phc1: -19.22768 type: NMR Spectrum DECIM: 560 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 21 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 7.472743116025052 isComplex: true probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: 1d groupDelay: 76 temperature: 298.1497 spectrumSize: 131072 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 500 pulseSequence: udeft spectralWidth: 283.964238408952 numberOfPoints: 39 relaxationTime: 4 acquisitionTime: 0.0005319999999999992 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 23584.90566037736 experimentNumber: 2 linearPredictionBin: 262144 lpNumberOfCoefficients: 4096 windowMultiplicationMode: 1 date: 2024-08-15T01:47:42.000Z isFt: true name: 13_AEIII-066B_C1_C17_diketo_C3_OTBDMS_08.14.2024_FULL/3 phc0: 62.89795 phc1: 172.3924 type: NMR Spectrum DECIM: 992 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 40.07639961064025 isComplex: true probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: dept groupDelay: 67.9840087890625 temperature: 298.1494 spectrumSize: 32768 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 32 pulseSequence: deptsp135 spectralWidth: 160.305598442561 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00009920000000037773 frequencyOffset: 10060.621999997466 originFrequency: 125.767849148 pulseStrength90: 23584.90566037736 experimentNumber: 3 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-08-15T01:55:33.000Z isFt: true name: 13_AEIII-066B_C1_C17_diketo_C3_OTBDMS_08.14.2024_FULL/4 phc0: 29.36317 phc1: 242.0791 type: NMR Spectrum DECIM: 672 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 59.159216335354 isComplex: true probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: dept groupDelay: 67.9838256835938 temperature: 298.1505 spectrumSize: 32768 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 128 pulseSequence: deptsp90 spectralWidth: 236.636865341416 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00006719999999982307 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 23584.90566037736 experimentNumber: 4 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-08-15T02:10:55.000Z isFt: true name: 13_AEIII-066B_C1_C17_diketo_C3_OTBDMS_08.14.2024_FULL/5 phc0: -159.3368,3.253899 phc1: -12.14621,0 type: NMR Spectrum DECIM: 3080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 21 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 3.2458940546305 isComplex: false probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: hsqc groupDelay: 76 temperature: 298.1508 spectrumSize: 2048,2048 baseFrequency: 500.13,125.757788526 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: hsqcedetgpsisp2.3 spectralWidth: 12.983576218522,164.962602395549 numberOfPoints: 5 relaxationTime: 1.5 acquisitionTime: 0.00030800000000000033 frequencyOffset: 2350.610999997116,9431.835000000887 originFrequency: 500.132350611,125.767220361 pulseStrength90: 19607.843137254902 experimentNumber: 5 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 4,4 date: 2024-08-15T02:32:30.000Z isFt: true name: 13_AEIII-066B_C1_C17_diketo_C3_OTBDMS_08.14.2024_FULL/6 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 3080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 3.24589145792955 isComplex: false probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: hmbc groupDelay: 67.985595703125 temperature: 298.1488 spectrumSize: 4096,2048 baseFrequency: 500.13,125.757788526 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: hmbcetgpl3nd spectralWidth: 12.9835658317182,239.487911911164 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.0003079999999999992 frequencyOffset: 2750.714999990578,12575.779000002285 originFrequency: 500.132750715,125.770364305 pulseStrength90: 19607.843137254902 experimentNumber: 6 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,4 date: 2024-08-15T02:34:28.000Z isFt: true name: 13_AEIII-066B_C1_C17_diketo_C3_OTBDMS_08.14.2024_FULL/7 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 3080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 3.24588983499355 isComplex: false probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: cosy groupDelay: 67.985595703125 temperature: 298.1507 spectrumSize: 1024,1024 baseFrequency: 500.13,500.13 fieldStrength: 11.746350827011339 numberOfScans: 1 pulseSequence: cosygpppqf spectralWidth: 12.9835593399742,12.9835593399742 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00030800000000000006 frequencyOffset: 3000.779999979386,3000.779999979386 originFrequency: 500.13300078,500.13300078 pulseStrength90: 19607.843137254902 experimentNumber: 7 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2024-08-15T02:57:09.000Z isFt: true name: 13_AEIII-066B_C1_C17_diketo_C3_OTBDMS_08.14.2024_FULL/8 phc0: -44.21659,267.9648 phc1: 30.88338,-180 type: NMR Spectrum DECIM: 4000 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 4.998676844130975 isComplex: false probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: noesy groupDelay: 67.9842834472656 temperature: 298.1491 spectrumSize: 1024,1024 baseFrequency: 500.13,500.13 fieldStrength: 11.746350827011339 numberOfScans: 4 pulseSequence: noesygpphpp spectralWidth: 9.99735368826195,9.99735368826195 numberOfPoints: 3 relaxationTime: 2 acquisitionTime: 0.00020000000000000004 frequencyOffset: 2350.610999997116,2350.610999997116 originFrequency: 500.132350611,500.132350611 pulseStrength90: 19607.843137254902 experimentNumber: 8 acquisitionScheme: States-TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 date: 2024-08-15T03:00:26.000Z isFt: true name: 13_AEIII-066B_C1_C17_diketo_C3_OTBDMS_08.14.2024_FULL/9 phc0: 0,180 phc1: 0,-180 type: NMR Spectrum DECIM: 4000 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 2.4993384220654873 isComplex: false probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: tocsy groupDelay: 76 temperature: 298.151 spectrumSize: 2048,1024 baseFrequency: 500.13,500.13 fieldStrength: 11.746350827011339 numberOfScans: 2 pulseSequence: mlevphpr.2 spectralWidth: 9.99735368826195,9.99735368826195 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.0004000000000000001 frequencyOffset: 2350.610999997116,2350.610999997116 originFrequency: 500.132350611,500.132350611 pulseStrength90: 19607.843137254902 experimentNumber: 9 acquisitionScheme: States-TPPI linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '14e443f8-70e7-497d-9785-3727d79901ab', 'name': 'nmrxiv', 'title': 'nmrXiv', 'type': 'repository', 'description': 'The Open, FAIR and Consensus-Driven NMR spectroscopy data repository and analysis platform.', 'image_url': 'nmrXiv_logo.svg', 'created': '2024-04-22T15:05:05.930653', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '14e443f8-70e7-497d-9785-3727d79901ab', 'private': False, 'related_molecule': '[]', 'smiles': 'CC(C)(C)[Si](C)(C)O[C@@H]1C=C2CCC3C(CC[C@]4(C)C(=O)CCC34)[C@@]2(C)C(=O)C1', 'state': 'active', 'title': '13_AEIII-066B_C1_C17_diketo_C3_OTBDMS_08.14.2024_FULL.cosy', 'type': 'dataset', 'url': 'https://nmrxiv.org/D4299', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-04-19T13:43:46.269485', 'format': 'HTML', 'hash': '', 'id': '9166c8fd-ed57-4690-b25d-c6f8d54e72db', 'last_modified': None, 'metadata_modified': '2025-04-19T13:43:46.261145', 'mimetype': None, 'mimetype_inner': None, 'name': '13_AEIII-066B_C1_C17_diketo_C3_OTBDMS_08.14.2024_FULL.cosy', 'package_id': 'nmrxiv-d4299', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://nmrxiv.org/D4299', 'url_type': None}], 'tags': [{'display_name': 'correlation-spectroscopy', 'id': 'faf0ca90-8b2b-47a5-a481-a229ae5d6a6e', 'name': 'correlation-spectroscopy', 'state': 'active', 'vocabulary_id': None}], 'variableMeasured': [{'variableMeasured_name': 'NMR solvent', 'variableMeasured_propertyID': 'NMR:1000330', 'variableMeasured_value': 'CDCl3'}, {'variableMeasured_name': 'acquisition nucleus', 'variableMeasured_propertyID': 'NMR:1400083', 'variableMeasured_value': "['1H', '1H']"}, {'variableMeasured_name': 'NMR spectrum by dimensionality', 'variableMeasured_propertyID': 'NMR:1000117', 'variableMeasured_value': '2'}, {'variableMeasured_name': 'NMR probe', 'variableMeasured_propertyID': 'OBI:0000516', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/OBI_0000516', 'variableMeasured_value': 'Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z)'}, {'variableMeasured_name': 'Temperature', 'variableMeasured_propertyID': 'NCIT:C25206', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C25206', 'variableMeasured_value': '298.1507'}, {'variableMeasured_name': 'irradiation frequency', 'variableMeasured_propertyID': 'NMR:1400026', 'variableMeasured_value': '[500.13, 500.13]'}, {'variableMeasured_name': 'magnetic field strength', 'variableMeasured_propertyID': 'MR:1400253', 'variableMeasured_value': '11.746350827011339'}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': '1'}, {'variableMeasured_name': 'nuclear magnetic resonance pulse sequence', 'variableMeasured_propertyID': 'CHMO:0001841', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/CHMO_0001841', 'variableMeasured_value': 'cosygpppqf'}, {'variableMeasured_name': 'Spectral Width', 'variableMeasured_propertyID': 'NCIT:C156496', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C156496', 'variableMeasured_value': '[12.9835593399742, 12.9835593399742]'}, {'variableMeasured_name': 'number of data points', 'variableMeasured_propertyID': 'NMR:1000176', 'variableMeasured_value': '5'}, {'variableMeasured_name': 'relaxation time measurement', 'variableMeasured_propertyID': 'FIX:0000202', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/FIX_0000202', 'variableMeasured_value': '2'}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': '81251e4a-f668-4875-8762-ff9f56ef19b8'}, {'key': 'harvest_source_id', 'value': '289ee33f-3b9e-4677-b96f-56659c421105'}, {'key': 'harvest_source_title', 'value': 'nmrXiv Harvester'}]}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'doi': '10.57992/nmrxiv.p98.s859.d4247', 'id': 'nmrxiv-d4247', 'inchi': 'InChI=1S/C19H30O3/c1-18-8-7-15-13(14(18)5-6-16(18)21)4-3-11-9-12(20)10-17(22)19(11,15)2/h9,12-17,20-22H,3-8,10H2,1-2H3/t12-,13?,14?,15?,16+,17-,18+,19+/m1/s1', 'inchi_key': 'WQJPXGINJISIRJ-ZHBZUFJZSA-N', 'isopen': False, 'language': 'english', 'license_id': 'CC0 1.0 Universal ', 'license_title': ' CC0 1.0 Legal Code ', 'license_url': 'https://creativecommons.org/publicdomain/zero/1.0/legalcode', 'maintainer_email': None, 'measurement_technique': 'correlation spectroscopy', 'measurement_technique_iri': 'CHMO:0000599', 'metadata_created': '2025-03-22T14:43:35.743053', 'metadata_modified': '2025-03-22T14:43:35.743058', 'metadata_published': '2025-03-20 23:01:25', 'name': 'aeiv-059b_1_3_17_b_triol_10-16-2024-cosy', 'notes': 'This dataset contains NMR spectra obtained for the sample -AEIV-059B_1_3_17_b_triol_10.16.2024 date: 2024-10-16T15:05:37.000Z isFt: true name: AEIV-059B_1_3_17_b_triol_10.16.2024/1 phc0: -64.23792 phc1: 60.21583 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 4.998669471131275 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298.1508 spectrumSize: 65536 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 8 pulseSequence: zg30 spectralWidth: 19.9946778845251 numberOfPoints: 5 relaxationTime: 1 acquisitionTime: 0.00020000000000017524 frequencyOffset: 3088.3019999805583 originFrequency: 500.133088302 pulseStrength90: 23809.52380952381 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-10-17T03:01:43.000Z isFt: true name: AEIV-059B_1_3_17_b_triol_10.16.2024/10 phc0: 0,180 phc1: 0,-180 type: NMR Spectrum DECIM: 4000 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 2.4993384220654873 isComplex: false probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: tocsy groupDelay: 76 temperature: 298.1494 spectrumSize: 2048,1024 baseFrequency: 500.13,500.13 fieldStrength: 11.746350827011339 numberOfScans: 2 pulseSequence: mlevphpr.2 spectralWidth: 9.99735368826195,9.99735368826195 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.0004000000000000001 frequencyOffset: 2350.610999997116,2350.610999997116 originFrequency: 500.132350611,500.132350611 pulseStrength90: 23809.52380952381 experimentNumber: 10 acquisitionScheme: States-TPPI linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2024-10-17T01:05:57.000Z isFt: true name: AEIV-059B_1_3_17_b_triol_10.16.2024/2 phc0: 0 phc1: 0 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 9.99733894226255 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298.1494 spectrumSize: 65536 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 50 pulseSequence: zg30 spectralWidth: 19.9946778845251 numberOfPoints: 3 relaxationTime: 1 acquisitionTime: 0.00010000000000008762 frequencyOffset: 3088.3019999805583 originFrequency: 500.133088302 pulseStrength90: 23809.52380952381 experimentNumber: 2 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-10-17T01:46:00.000Z isFt: true name: AEIV-059B_1_3_17_b_triol_10.16.2024/3 phc0: -105.4014 phc1: 5.933655 type: NMR Spectrum DECIM: 560 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 21 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 40.56631977270742 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 76 temperature: 298.1484 spectrumSize: 131072 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 500 pulseSequence: udeft spectralWidth: 283.964238408952 numberOfPoints: 8 relaxationTime: 4 acquisitionTime: 0.00009799999999999985 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 14662.756598240469 experimentNumber: 3 linearPredictionBin: 262144 lpNumberOfCoefficients: 4096 windowMultiplicationMode: 1 date: 2024-10-17T01:53:51.000Z isFt: true name: AEIV-059B_1_3_17_b_triol_10.16.2024/4 phc0: -230.2949 phc1: 48.67231 type: NMR Spectrum DECIM: 672 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 59.159216335354 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: dept groupDelay: 67.9838256835938 temperature: 298.151 spectrumSize: 32768 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 128 pulseSequence: deptsp90 spectralWidth: 236.636865341416 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00006719999999982307 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 14662.756598240469 experimentNumber: 4 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-10-17T01:56:44.000Z isFt: true name: AEIV-059B_1_3_17_b_triol_10.16.2024/5 phc0: 14.77243 phc1: 215.1069 type: NMR Spectrum DECIM: 992 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 40.07639961064025 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: dept groupDelay: 67.9840087890625 temperature: 298.1487 spectrumSize: 32768 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 32 pulseSequence: deptsp135 spectralWidth: 160.305598442561 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00009920000000037773 frequencyOffset: 10060.621999997466 originFrequency: 125.767849148 pulseStrength90: 14662.756598240469 experimentNumber: 5 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-10-17T02:12:07.000Z isFt: true name: AEIV-059B_1_3_17_b_triol_10.16.2024/6 phc0: -159.3368,3.253899 phc1: -12.14621,0 type: NMR Spectrum DECIM: 3080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 21 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 3.2458940546305 isComplex: false probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hsqc groupDelay: 76 temperature: 298.1523 spectrumSize: 2048,2048 baseFrequency: 500.13,125.757788526 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: hsqcedetgpsisp2.3 spectralWidth: 12.983576218522,164.962602395549 numberOfPoints: 5 relaxationTime: 1.5 acquisitionTime: 0.00030800000000000033 frequencyOffset: 2350.610999997116,9431.835000000887 originFrequency: 500.132350611,125.767220361 pulseStrength90: 23809.52380952381 experimentNumber: 6 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 4,4 date: 2024-10-17T02:33:42.000Z isFt: true name: AEIV-059B_1_3_17_b_triol_10.16.2024/7 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 3080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 3.24589145792955 isComplex: false probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hmbc groupDelay: 67.985595703125 temperature: 298.1486 spectrumSize: 4096,2048 baseFrequency: 500.13,125.757788526 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: hmbcetgpl3nd spectralWidth: 12.9835658317182,239.487911911164 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.0003079999999999992 frequencyOffset: 2750.714999990578,12575.779000002285 originFrequency: 500.132750715,125.770364305 pulseStrength90: 23809.52380952381 experimentNumber: 7 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,4 date: 2024-10-17T02:35:42.000Z isFt: true name: AEIV-059B_1_3_17_b_triol_10.16.2024/8 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 3080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 3.24588983499355 isComplex: false probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: cosy groupDelay: 67.985595703125 temperature: 298.1508 spectrumSize: 1024,1024 baseFrequency: 500.13,500.13 fieldStrength: 11.746350827011339 numberOfScans: 1 pulseSequence: cosygpppqf spectralWidth: 12.9835593399742,12.9835593399742 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00030800000000000006 frequencyOffset: 3000.779999979386,3000.779999979386 originFrequency: 500.13300078,500.13300078 pulseStrength90: 23809.52380952381 experimentNumber: 8 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2024-10-17T02:58:24.000Z isFt: true name: AEIV-059B_1_3_17_b_triol_10.16.2024/9 phc0: -44.21659,267.9648 phc1: 30.88338,-180 type: NMR Spectrum DECIM: 4000 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 4.998676844130975 isComplex: false probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: noesy groupDelay: 67.9842834472656 temperature: 298.151 spectrumSize: 1024,1024 baseFrequency: 500.13,500.13 fieldStrength: 11.746350827011339 numberOfScans: 4 pulseSequence: noesygpphpp spectralWidth: 9.99735368826195,9.99735368826195 numberOfPoints: 3 relaxationTime: 2 acquisitionTime: 0.00020000000000000004 frequencyOffset: 2350.610999997116,2350.610999997116 originFrequency: 500.132350611,500.132350611 pulseStrength90: 23809.52380952381 experimentNumber: 9 acquisitionScheme: States-TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '14e443f8-70e7-497d-9785-3727d79901ab', 'name': 'nmrxiv', 'title': 'nmrXiv', 'type': 'repository', 'description': 'The Open, FAIR and Consensus-Driven NMR spectroscopy data repository and analysis platform.', 'image_url': 'nmrXiv_logo.svg', 'created': 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'faf0ca90-8b2b-47a5-a481-a229ae5d6a6e', 'name': 'correlation-spectroscopy', 'state': 'active', 'vocabulary_id': None}], 'variableMeasured': [{'variableMeasured_name': 'NMR solvent', 'variableMeasured_propertyID': 'NMR:1000330', 'variableMeasured_value': 'CDCl3'}, {'variableMeasured_name': 'acquisition nucleus', 'variableMeasured_propertyID': 'NMR:1400083', 'variableMeasured_value': "['1H', '1H']"}, {'variableMeasured_name': 'NMR spectrum by dimensionality', 'variableMeasured_propertyID': 'NMR:1000117', 'variableMeasured_value': '2'}, {'variableMeasured_name': 'NMR probe', 'variableMeasured_propertyID': 'OBI:0000516', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/OBI_0000516', 'variableMeasured_value': 'Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z)'}, {'variableMeasured_name': 'Temperature', 'variableMeasured_propertyID': 'NCIT:C25206', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C25206', 'variableMeasured_value': '298.1508'}, {'variableMeasured_name': 'irradiation frequency', 'variableMeasured_propertyID': 'NMR:1400026', 'variableMeasured_value': '[500.13, 500.13]'}, {'variableMeasured_name': 'magnetic field strength', 'variableMeasured_propertyID': 'MR:1400253', 'variableMeasured_value': '11.746350827011339'}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': '1'}, {'variableMeasured_name': 'nuclear magnetic resonance pulse sequence', 'variableMeasured_propertyID': 'CHMO:0001841', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/CHMO_0001841', 'variableMeasured_value': 'cosygpppqf'}, {'variableMeasured_name': 'Spectral Width', 'variableMeasured_propertyID': 'NCIT:C156496', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C156496', 'variableMeasured_value': '[12.9835593399742, 12.9835593399742]'}, {'variableMeasured_name': 'number of data points', 'variableMeasured_propertyID': 'NMR:1000176', 'variableMeasured_value': '5'}, {'variableMeasured_name': 'relaxation time measurement', 'variableMeasured_propertyID': 'FIX:0000202', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/FIX_0000202', 'variableMeasured_value': '2'}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': 'e3e80790-4580-47b3-a277-7c86d990baa9'}, {'key': 'harvest_source_id', 'value': '289ee33f-3b9e-4677-b96f-56659c421105'}, {'key': 'harvest_source_title', 'value': 'nmrXiv Harvester'}]}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'doi': '10.57992/nmrxiv.p98.s862.d4272', 'id': 'nmrxiv-d4272', 'inchi': 'InChI=1S/C19H26O2/c1-18-11-10-15-13(14(18)8-9-16(18)20)7-6-12-4-3-5-17(21)19(12,15)2/h3-5,13-16,20H,6-11H2,1-2H3/t13?,14?,15?,16-,18-,19-/m0/s1', 'inchi_key': 'FXCSNJQTRVVMGS-QTOZILHFSA-N', 'isopen': False, 'language': 'english', 'license_id': 'CC0 1.0 Universal ', 'license_title': ' CC0 1.0 Legal Code ', 'license_url': 'https://creativecommons.org/publicdomain/zero/1.0/legalcode', 'maintainer_email': None, 'measurement_technique': 'correlation spectroscopy', 'measurement_technique_iri': 'CHMO:0000599', 'metadata_created': '2025-03-22T14:43:33.250287', 'metadata_modified': '2025-03-22T14:43:33.250293', 'metadata_published': '2025-03-20 23:01:25', 'name': 'aeii-033b_nabh4_on_1_17_diketone_3opiv_dienone_a_ring_12_15_2023_full-cosy', 'notes': 'This dataset contains NMR spectra obtained for the sample -AEII-033B_NaBH4_on_1_17_diketone_3OPiv_dienone_A_ring_12_15_2023_FULL date: 2023-12-15T23:28:30.000Z isFt: true name: AEII-033B_NaBH4_on_1_17_diketone_3OPiv_dienone_A_ring_12_15_2023_FULL/1 phc0: 4.280609 phc1: 31.12811 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 4.998669471131275 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298.1497 spectrumSize: 65536 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 8 pulseSequence: zg30 spectralWidth: 19.9946778845251 numberOfPoints: 5 relaxationTime: 1 acquisitionTime: 0.00020000000000017524 frequencyOffset: 3088.3019999805583 originFrequency: 500.133088302 pulseStrength90: 24703.557312252968 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2023-12-16T03:24:39.000Z isFt: true name: AEII-033B_NaBH4_on_1_17_diketone_3OPiv_dienone_A_ring_12_15_2023_FULL/2 phc0: -50.42865 phc1: -59.76928 type: NMR Spectrum DECIM: 634.666666666667 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 21 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 9.636795421118268 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 76 temperature: 298.1504 spectrumSize: 131072 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 256 pulseSequence: udeft spectralWidth: 250.556680949075 numberOfPoints: 27 relaxationTime: 4 acquisitionTime: 0.0004125333333333332 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 15625 experimentNumber: 2 linearPredictionBin: 262144 lpNumberOfCoefficients: 4096 windowMultiplicationMode: 1 date: 2023-12-16T03:31:47.000Z isFt: true name: AEII-033B_NaBH4_on_1_17_diketone_3OPiv_dienone_A_ring_12_15_2023_FULL/3 phc0: 5.238708 phc1: 261.0771 type: NMR Spectrum DECIM: 672 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 59.159216335354 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: dept groupDelay: 67.9838256835938 temperature: 298.1494 spectrumSize: 32768 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 128 pulseSequence: deptsp90 spectralWidth: 236.636865341416 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00006719999999982307 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 15625 experimentNumber: 3 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2023-12-16T03:39:51.000Z isFt: true name: AEII-033B_NaBH4_on_1_17_diketone_3OPiv_dienone_A_ring_12_15_2023_FULL/4 phc0: 33.82634 phc1: 193.4544 type: NMR Spectrum DECIM: 992 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 40.07639961064025 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: dept groupDelay: 67.9840087890625 temperature: 298.1527 spectrumSize: 32768 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 128 pulseSequence: deptsp135 spectralWidth: 160.305598442561 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00009920000000037773 frequencyOffset: 10060.621999997466 originFrequency: 125.767849148 pulseStrength90: 15625 experimentNumber: 4 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2023-12-16T03:54:31.000Z isFt: true name: AEII-033B_NaBH4_on_1_17_diketone_3OPiv_dienone_A_ring_12_15_2023_FULL/5 phc0: -159.3368,3.253899 phc1: -12.14621,0 type: NMR Spectrum DECIM: 3080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 21 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 3.2458940546305 isComplex: false probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hsqc groupDelay: 76 temperature: 298.1497 spectrumSize: 2048,2048 baseFrequency: 500.13,125.757788526 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: hsqcedetgpsisp2.3 spectralWidth: 12.983576218522,164.962602395549 numberOfPoints: 5 relaxationTime: 1.5 acquisitionTime: 0.00030800000000000033 frequencyOffset: 2350.610999997116,9431.835000000887 originFrequency: 500.132350611,125.767220361 pulseStrength90: 24703.557312252968 experimentNumber: 5 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 4,4 date: 2023-12-16T04:15:24.000Z isFt: true name: AEII-033B_NaBH4_on_1_17_diketone_3OPiv_dienone_A_ring_12_15_2023_FULL/6 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 3080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 3.24589145792955 isComplex: false probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hmbc groupDelay: 67.985595703125 temperature: 298.1492 spectrumSize: 2048,1024 baseFrequency: 500.13,125.757788526 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: hmbcetgpl3nd spectralWidth: 12.9835658317182,239.487911911164 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.0003079999999999992 frequencyOffset: 2750.714999990578,12575.779000002285 originFrequency: 500.132750715,125.770364305 pulseStrength90: 24703.557312252968 experimentNumber: 6 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,4 date: 2023-12-16T04:25:12.000Z isFt: true name: AEII-033B_NaBH4_on_1_17_diketone_3OPiv_dienone_A_ring_12_15_2023_FULL/7 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 3080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 3.24588983499355 isComplex: false probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: cosy groupDelay: 67.985595703125 temperature: 298.1496 spectrumSize: 1024,1024 baseFrequency: 500.13,500.13 fieldStrength: 11.746350827011339 numberOfScans: 8 pulseSequence: cosygpppqf spectralWidth: 12.9835593399742,12.9835593399742 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00030800000000000006 frequencyOffset: 3000.779999979386,3000.779999979386 originFrequency: 500.13300078,500.13300078 pulseStrength90: 24703.557312252968 experimentNumber: 7 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2023-12-16T05:09:18.000Z isFt: true name: AEII-033B_NaBH4_on_1_17_diketone_3OPiv_dienone_A_ring_12_15_2023_FULL/8 phc0: -44.21659,267.9648 phc1: 30.88338,-180 type: NMR Spectrum DECIM: 4000 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 4.998676844130975 isComplex: false probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: noesy groupDelay: 67.9842834472656 temperature: 298.1491 spectrumSize: 1024,1024 baseFrequency: 500.13,500.13 fieldStrength: 11.746350827011339 numberOfScans: 8 pulseSequence: noesygpphpp spectralWidth: 9.99735368826195,9.99735368826195 numberOfPoints: 3 relaxationTime: 2 acquisitionTime: 0.00020000000000000004 frequencyOffset: 2350.610999997116,2350.610999997116 originFrequency: 500.132350611,500.132350611 pulseStrength90: 24703.557312252968 experimentNumber: 8 acquisitionScheme: States-TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '14e443f8-70e7-497d-9785-3727d79901ab', 'name': 'nmrxiv', 'title': 'nmrXiv', 'type': 'repository', 'description': 'The Open, FAIR and Consensus-Driven NMR spectroscopy data repository and analysis platform.', 'image_url': 'nmrXiv_logo.svg', 'created': '2024-04-22T15:05:05.930653', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '14e443f8-70e7-497d-9785-3727d79901ab', 'private': False, 'related_molecule': '[]', 'smiles': 'C[C@]12C(=O)C=CC=C1CCC1C2CC[C@@]2(C)C1CC[C@@H]2O', 'state': 'active', 'title': 'AEII-033B_NaBH4_on_1_17_diketone_3OPiv_dienone_A_ring_12_15_2023_FULL.cosy', 'type': 'dataset', 'url': 'https://nmrxiv.org/D4272', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-03-22T14:43:33.255170', 'format': 'HTML', 'hash': '', 'id': 'f0973d13-e77d-4b6a-b5c7-594fd98135b2', 'last_modified': None, 'metadata_modified': '2025-03-22T14:43:33.246327', 'mimetype': None, 'mimetype_inner': None, 'name': 'AEII-033B_NaBH4_on_1_17_diketone_3OPiv_dienone_A_ring_12_15_2023_FULL.cosy', 'package_id': 'nmrxiv-d4272', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://nmrxiv.org/D4272', 'url_type': None}], 'tags': [{'display_name': 'correlation-spectroscopy', 'id': 'faf0ca90-8b2b-47a5-a481-a229ae5d6a6e', 'name': 'correlation-spectroscopy', 'state': 'active', 'vocabulary_id': None}], 'variableMeasured': [{'variableMeasured_name': 'NMR solvent', 'variableMeasured_propertyID': 'NMR:1000330', 'variableMeasured_value': 'CDCl3'}, {'variableMeasured_name': 'acquisition nucleus', 'variableMeasured_propertyID': 'NMR:1400083', 'variableMeasured_value': "['1H', '1H']"}, {'variableMeasured_name': 'NMR spectrum by dimensionality', 'variableMeasured_propertyID': 'NMR:1000117', 'variableMeasured_value': '2'}, {'variableMeasured_name': 'NMR probe', 'variableMeasured_propertyID': 'OBI:0000516', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/OBI_0000516', 'variableMeasured_value': 'Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z)'}, {'variableMeasured_name': 'Temperature', 'variableMeasured_propertyID': 'NCIT:C25206', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C25206', 'variableMeasured_value': '298.1496'}, {'variableMeasured_name': 'irradiation frequency', 'variableMeasured_propertyID': 'NMR:1400026', 'variableMeasured_value': '[500.13, 500.13]'}, {'variableMeasured_name': 'magnetic field strength', 'variableMeasured_propertyID': 'MR:1400253', 'variableMeasured_value': '11.746350827011339'}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': '8'}, {'variableMeasured_name': 'nuclear magnetic resonance pulse sequence', 'variableMeasured_propertyID': 'CHMO:0001841', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/CHMO_0001841', 'variableMeasured_value': 'cosygpppqf'}, {'variableMeasured_name': 'Spectral Width', 'variableMeasured_propertyID': 'NCIT:C156496', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C156496', 'variableMeasured_value': '[12.9835593399742, 12.9835593399742]'}, {'variableMeasured_name': 'number of data points', 'variableMeasured_propertyID': 'NMR:1000176', 'variableMeasured_value': '5'}, {'variableMeasured_name': 'relaxation time measurement', 'variableMeasured_propertyID': 'FIX:0000202', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/FIX_0000202', 'variableMeasured_value': '2'}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': '9a766cd3-e098-4e89-8e05-6029ae5ac35f'}, {'key': 'harvest_source_id', 'value': '289ee33f-3b9e-4677-b96f-56659c421105'}, {'key': 'harvest_source_title', 'value': 'nmrXiv Harvester'}]}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'doi': '10.57992/nmrxiv.p98.s861.d4264', 'id': 'nmrxiv-d4264', 'inchi': 'InChI=1S/C24H36O4/c1-22(2,3)21(27)28-15-12-14-6-7-16-17-8-9-19(25)23(17,4)11-10-18(16)24(14,5)20(26)13-15/h14-18H,6-13H2,1-5H3/t14?,15-,16?,17?,18?,23+,24+/m1/s1', 'inchi_key': 'LRBBBGJCZNNDMR-LMVFSPIVSA-N', 'isopen': False, 'language': 'english', 'license_id': 'CC0 1.0 Universal ', 'license_title': ' CC0 1.0 Legal Code ', 'license_url': 'https://creativecommons.org/publicdomain/zero/1.0/legalcode', 'maintainer_email': None, 'measurement_technique': 'correlation spectroscopy', 'measurement_technique_iri': 'CHMO:0000599', 'metadata_created': '2025-03-22T14:43:21.251312', 'metadata_modified': '2025-03-22T14:43:21.251317', 'metadata_published': '2025-03-20 23:01:25', 'name': 'aeii-024b_monoester_3opiv_c4_epoxy_c1_17_diketone_pcc_11-22-2023_full-cosy', 'notes': 'This dataset contains NMR spectra obtained for the sample -AEII-024B_monoester_3OPiv_C4_epoxy_C1_17_diketone_PCC_11.22.2023_FULL date: 2023-11-22T23:16:23.000Z isFt: true name: AEII-024B_monoester_3OPiv_C4_epoxy_C1_17_diketone_PCC_11.22.2023_FULL/1 phc0: -85.35435 phc1: 48.18853 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 4.998669471131275 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298.1491 spectrumSize: 65536 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 8 pulseSequence: zg30 spectralWidth: 19.9946778845251 numberOfPoints: 5 relaxationTime: 1 acquisitionTime: 0.00020000000000017524 frequencyOffset: 3088.3019999805583 originFrequency: 500.133088302 pulseStrength90: 24703.557312252968 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2023-11-23T08:50:42.000Z isFt: true name: AEII-024B_monoester_3OPiv_C4_epoxy_C1_17_diketone_PCC_11.22.2023_FULL/2 phc0: -66.53648 phc1: -48.86498 type: NMR Spectrum DECIM: 634.666666666667 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 21 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 25.0556680949075 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 76 temperature: 298.1504 spectrumSize: 131072 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 800 pulseSequence: udeft spectralWidth: 250.556680949075 numberOfPoints: 11 relaxationTime: 4 acquisitionTime: 0.0001586666666666666 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 15625 experimentNumber: 2 linearPredictionBin: 262144 lpNumberOfCoefficients: 4096 windowMultiplicationMode: 1 date: 2023-11-23T08:57:50.000Z isFt: true name: AEII-024B_monoester_3OPiv_C4_epoxy_C1_17_diketone_PCC_11.22.2023_FULL/3 phc0: 33.71075 phc1: 208.8626 type: NMR Spectrum DECIM: 672 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 59.159216335354 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: dept groupDelay: 67.9838256835938 temperature: 298.1488 spectrumSize: 32768 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 128 pulseSequence: deptsp90 spectralWidth: 236.636865341416 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00006719999999982307 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 15625 experimentNumber: 3 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2023-11-23T09:00:02.000Z isFt: true name: AEII-024B_monoester_3OPiv_C4_epoxy_C1_17_diketone_PCC_11.22.2023_FULL/4 phc0: -6.141327 phc1: 232.9605 type: NMR Spectrum DECIM: 992 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 40.07639961064025 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: dept groupDelay: 67.9840087890625 temperature: 298.1516 spectrumSize: 32768 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 32 pulseSequence: deptsp135 spectralWidth: 160.305598442561 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00009920000000037773 frequencyOffset: 10060.621999997466 originFrequency: 125.767849148 pulseStrength90: 15625 experimentNumber: 4 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2023-11-23T09:07:31.000Z isFt: true name: AEII-024B_monoester_3OPiv_C4_epoxy_C1_17_diketone_PCC_11.22.2023_FULL/5 phc0: -159.3368,3.253899 phc1: -12.14621,0 type: NMR Spectrum DECIM: 3080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 21 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 3.2458940546305 isComplex: false probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hsqc groupDelay: 76 temperature: 298.1479 spectrumSize: 2048,2048 baseFrequency: 500.13,125.757788526 fieldStrength: 11.746350827011339 numberOfScans: 8 pulseSequence: hsqcedetgpsisp2.3 spectralWidth: 12.983576218522,164.962602395549 numberOfPoints: 5 relaxationTime: 1.5 acquisitionTime: 0.00030800000000000033 frequencyOffset: 2350.610999997116,9431.835000000887 originFrequency: 500.132350611,125.767220361 pulseStrength90: 24703.557312252968 experimentNumber: 5 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 4,4 date: 2023-11-23T09:18:11.000Z isFt: true name: AEII-024B_monoester_3OPiv_C4_epoxy_C1_17_diketone_PCC_11.22.2023_FULL/6 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 3080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 3.24589145792955 isComplex: false probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hmbc groupDelay: 67.985595703125 temperature: 298.1494 spectrumSize: 2048,1024 baseFrequency: 500.13,125.757788526 fieldStrength: 11.746350827011339 numberOfScans: 8 pulseSequence: hmbcetgpl3nd spectralWidth: 12.9835658317182,239.487911911164 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.0003079999999999992 frequencyOffset: 2750.714999990578,12575.779000002285 originFrequency: 500.132750715,125.770364305 pulseStrength90: 24703.557312252968 experimentNumber: 6 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,4 date: 2023-11-23T09:19:50.000Z isFt: true name: AEII-024B_monoester_3OPiv_C4_epoxy_C1_17_diketone_PCC_11.22.2023_FULL/7 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 3080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 3.24588983499355 isComplex: false probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: cosy groupDelay: 67.985595703125 temperature: 298.1503 spectrumSize: 1024,1024 baseFrequency: 500.13,500.13 fieldStrength: 11.746350827011339 numberOfScans: 1 pulseSequence: cosygpppqf spectralWidth: 12.9835593399742,12.9835593399742 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00030800000000000006 frequencyOffset: 3000.779999979386,3000.779999979386 originFrequency: 500.13300078,500.13300078 pulseStrength90: 24703.557312252968 experimentNumber: 7 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2023-11-23T09:41:59.000Z isFt: true name: AEII-024B_monoester_3OPiv_C4_epoxy_C1_17_diketone_PCC_11.22.2023_FULL/8 phc0: -44.21659,267.9648 phc1: 30.88338,-180 type: NMR Spectrum DECIM: 4000 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 4.998676844130975 isComplex: false probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: noesy groupDelay: 67.9842834472656 temperature: 298.1502 spectrumSize: 1024,1024 baseFrequency: 500.13,500.13 fieldStrength: 11.746350827011339 numberOfScans: 4 pulseSequence: noesygpphpp spectralWidth: 9.99735368826195,9.99735368826195 numberOfPoints: 3 relaxationTime: 2 acquisitionTime: 0.00020000000000000004 frequencyOffset: 2350.610999997116,2350.610999997116 originFrequency: 500.132350611,500.132350611 pulseStrength90: 24703.557312252968 experimentNumber: 8 acquisitionScheme: States-TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '14e443f8-70e7-497d-9785-3727d79901ab', 'name': 'nmrxiv', 'title': 'nmrXiv', 'type': 'repository', 'description': 'The Open, FAIR and Consensus-Driven NMR spectroscopy data repository and analysis platform.', 'image_url': 'nmrXiv_logo.svg', 'created': '2024-04-22T15:05:05.930653', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '14e443f8-70e7-497d-9785-3727d79901ab', 'private': False, 'related_molecule': '[]', 'smiles': 'CC(C)(C)C(=O)O[C@H]1CC(=O)[C@@]2(C)C(CCC3C2CC[C@]2(C)C(=O)CCC32)C1', 'state': 'active', 'title': 'AEII-024B_monoester_3OPiv_C4_epoxy_C1_17_diketone_PCC_11.22.2023_FULL.cosy', 'type': 'dataset', 'url': 'https://nmrxiv.org/D4264', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-03-22T14:43:21.259446', 'format': 'HTML', 'hash': '', 'id': 'd4c36002-888b-4bd9-a71b-47076d479260', 'last_modified': None, 'metadata_modified': '2025-03-22T14:43:21.245735', 'mimetype': None, 'mimetype_inner': None, 'name': 'AEII-024B_monoester_3OPiv_C4_epoxy_C1_17_diketone_PCC_11.22.2023_FULL.cosy', 'package_id': 'nmrxiv-d4264', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://nmrxiv.org/D4264', 'url_type': None}], 'tags': [{'display_name': 'correlation-spectroscopy', 'id': 'faf0ca90-8b2b-47a5-a481-a229ae5d6a6e', 'name': 'correlation-spectroscopy', 'state': 'active', 'vocabulary_id': None}], 'variableMeasured': [{'variableMeasured_name': 'NMR solvent', 'variableMeasured_propertyID': 'NMR:1000330', 'variableMeasured_value': 'CDCl3'}, {'variableMeasured_name': 'acquisition nucleus', 'variableMeasured_propertyID': 'NMR:1400083', 'variableMeasured_value': "['1H', '1H']"}, {'variableMeasured_name': 'NMR spectrum by dimensionality', 'variableMeasured_propertyID': 'NMR:1000117', 'variableMeasured_value': '2'}, {'variableMeasured_name': 'NMR probe', 'variableMeasured_propertyID': 'OBI:0000516', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/OBI_0000516', 'variableMeasured_value': 'Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z)'}, {'variableMeasured_name': 'Temperature', 'variableMeasured_propertyID': 'NCIT:C25206', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C25206', 'variableMeasured_value': '298.1503'}, {'variableMeasured_name': 'irradiation frequency', 'variableMeasured_propertyID': 'NMR:1400026', 'variableMeasured_value': '[500.13, 500.13]'}, {'variableMeasured_name': 'magnetic field strength', 'variableMeasured_propertyID': 'MR:1400253', 'variableMeasured_value': '11.746350827011339'}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': '1'}, {'variableMeasured_name': 'nuclear magnetic resonance pulse sequence', 'variableMeasured_propertyID': 'CHMO:0001841', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/CHMO_0001841', 'variableMeasured_value': 'cosygpppqf'}, {'variableMeasured_name': 'Spectral Width', 'variableMeasured_propertyID': 'NCIT:C156496', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C156496', 'variableMeasured_value': '[12.9835593399742, 12.9835593399742]'}, {'variableMeasured_name': 'number of data points', 'variableMeasured_propertyID': 'NMR:1000176', 'variableMeasured_value': '5'}, {'variableMeasured_name': 'relaxation time measurement', 'variableMeasured_propertyID': 'FIX:0000202', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/FIX_0000202', 'variableMeasured_value': '2'}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': 'e380563b-1cee-455a-86be-c679069e0097'}, {'key': 'harvest_source_id', 'value': '289ee33f-3b9e-4677-b96f-56659c421105'}, {'key': 'harvest_source_title', 'value': 'nmrXiv Harvester'}]}, {'author': 'Yanagisawa, K., Kaneko, K., Ikeda, H., Iwata, S., Muranaka, A., Koshino, H., Nagao, N., Watari, S., Nishimura, S., Shinzato, N., Onaka, H., Kakeya, H.', 'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'doi': '10.57992/nmrxiv.p85.s729.d3594', 'id': 'nmrxiv-d3594', 'inchi': 'InChI=1S/C21H23NO7/c1-9(2)3-4-14-16-10(5-11(29-14)7-15(24)25)6-12-17(21(16)28)19(26)13(8-23)18(22)20(12)27/h6,8-9,11,14,28H,3-5,7,22H2,1-2H3,(H,24,25)/t11-,14-/m0/s1', 'inchi_key': 'NPGKFFQPHSMESG-FZMZJTMJSA-N', 'isopen': False, 'language': 'english', 'license_id': 'CC BY-NC 4.0 Deed', 'license_title': 'Attribution-NonCommercial 4.0 International', 'license_url': 'https://creativecommons.org/licenses/by-nc/4.0/legalcode', 'maintainer_email': None, 'measurement_technique': 'correlation spectroscopy', 'measurement_technique_iri': 'CHMO:0000599', 'metadata_created': '2025-02-03T17:17:43.445230', 'metadata_modified': '2025-02-05T14:45:31.051048', 'metadata_published': '2024-11-12 00:06:28', 'name': 'actinoquinonal_a_nmr_data-cosy', 'notes': 'This dataset contains NMR spectra obtained for the sample -actinoquinonal_A_NMR_Data date: 2021-10-02T04:26:18.000Z isFt: true name: actinoquinonal_A_NMR_Data/0 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 16 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TOPSPIN\t\tVersion 2.1 DSPFVS: 12 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 10.01513082882905 isComplex: false probeName: 5 mm TXI D/1H-13C/15N XYZ-GRD Z8323/141 experiment: cosy groupDelay: -1 temperature: 298 spectrumSize: 1024,1024 baseFrequency: 600.05,600.05 fieldStrength: 14.093131413328843 numberOfScans: 256 pulseSequence: cosygpqf spectralWidth: 20.0302616576581,20 numberOfPoints: 3 relaxationTime: 1.5 acquisitionTime: 0.0000832000000000001 frequencyOffset: 3607.619024023734,3607.619024023734 originFrequency: 600.053607619024,600.053607619024 pulseStrength90: 25000 experimentNumber: 0 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,3 date: 2021-10-03T09:12:33.000Z isFt: true name: actinoquinonal_A_NMR_Data/0 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 16 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TOPSPIN\t\tVersion 2.1 DSPFVS: 12 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.41729699776872503 isComplex: false probeName: 5 mm TXI D/1H-13C/15N XYZ-GRD Z8323/141 experiment: hmbc groupDelay: -1 temperature: 298 spectrumSize: 2048,1024 baseFrequency: 600.05,150.882693 fieldStrength: 14.093131413328843 numberOfScans: 256 pulseSequence: hmbcgplpndqf spectralWidth: 20.0302558928988,222.095059442626 numberOfPoints: 49 relaxationTime: 1.5 acquisitionTime: 0.0019968000000000013 frequencyOffset: 3780.3160000748903,16597.096230015042 originFrequency: 600.053780316,150.89929009623 pulseStrength90: 25000 experimentNumber: 0 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,3 date: 2021-10-02T18:55:08.000Z isFt: true name: actinoquinonal_A_NMR_Data/0 phc0: -65.8161,0 phc1: 0,0 type: NMR Spectrum DECIM: 16 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TOPSPIN\t\tVersion 2.1 DSPFVS: 12 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 5.007565475493225 isComplex: false probeName: 5 mm TXI D/1H-13C/15N XYZ-GRD Z8323/141 experiment: hsqc groupDelay: -1 temperature: 298 spectrumSize: 1024,1024 baseFrequency: 600.05,150.882693 fieldStrength: 14.093131413328843 numberOfScans: 128 pulseSequence: hsqcetgpsi2 spectralWidth: 20.0302619019729,220 numberOfPoints: 5 relaxationTime: 1.5 acquisitionTime: 0.00016640000000000006 frequencyOffset: 3600.300000016432,16597.096230015042 originFrequency: 600.0536003,150.89929009623 pulseStrength90: 25000 experimentNumber: 0 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,512 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2021-12-23T09:41:36.000Z isFt: true name: actinoquinonal_A_NMR_Data/0 phc0: -162.15,90 phc1: 0,-180 type: NMR Spectrum DECIM: 16 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TOPSPIN\t\tVersion 2.1 DSPFVS: 12 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 4.00605238039458 isComplex: false probeName: 5 mm TXI D/1H-13C/15N XYZ-GRD Z8323/141 experiment: noesy groupDelay: -1 temperature: 298 spectrumSize: 1024,1024 baseFrequency: 600.05,600.05 fieldStrength: 14.093131413328843 numberOfScans: 64 pulseSequence: noesyphpp spectralWidth: 20.0302619019729,20 numberOfPoints: 6 relaxationTime: 2 acquisitionTime: 0.0002080000000000001 frequencyOffset: 3600.300000016432,3600.300000016432 originFrequency: 600.0536003,600.0536003 pulseStrength90: 25000 experimentNumber: 0 acquisitionScheme: States-TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 date: {"year":2021,"month":10,"day":23} isFt: true name: actinoquinonal_A_13C.jdf type: NMR SPECTRUM isFid: false title: title: Parameter file, TOPSPIN\t\tVersion 2.1 / comment: Parameter file, TOPSPIN\t\tVersion 2.1 / author:nmr / site: author: nmr nucleus: 13C solvent: CHLOROFORM-D metadata: [object Object] dimension: 1 isComplex: true probeName: null experiment: 1d temperature: 298 baseFrequency: 150.91875159839753 fieldStrength: 14.093496686836302 numberOfScans: 25600 pulseSequence: zgpg30 spectralWidth: null numberOfPoints: 32768 relaxationTime: NA acquisitionMode: 0 acquisitionTime: NA frequencyOffset: null originFrequency: null pulseStrength90: null spectralWidthClipped: null date: {"year":2021,"month":5,"day":13} isFt: false name: actinoquinonal_A_1H.jdf type: NMR SPECTRUM isFid: true title: title: 210515 1 / comment: single_pulse / author:delta / site: JNM-ECS400 author: delta nucleus: 1H solvent: CHLOROFORM-D metadata: [object Object] dimension: 1 isComplex: true probeName: 2772 experiment: 1d sampleName: 2105151 temperature: 292.54999999999995 baseFrequency: 399.79256015247455 digitalFilter: 19.686298370361328 fieldStrength: 9.389766 numberOfScans: 16 pulseSequence: proton.jxp spectralWidth: 23.75913755462968 numberOfPoints: 16384 relaxationTime: 5 acquisitionMode: 0 acquisitionTime: 1.7249075200000001 frequencyOffset: 1998.9628007623728 originFrequency: 399.78219837825003 pulseStrength90: 39682.53968253968 spectralWidthClipped: 19006817.414588254', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '14e443f8-70e7-497d-9785-3727d79901ab', 'name': 'nmrxiv', 'title': 'nmrXiv', 'type': 'repository', 'description': 'The Open, FAIR and Consensus-Driven NMR spectroscopy data repository and analysis platform.', 'image_url': 'nmrXiv_logo.svg', 'created': '2024-04-22T15:05:05.930653', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '14e443f8-70e7-497d-9785-3727d79901ab', 'private': False, 'related_study': '[]', 'smiles': 'CC(C)CC[C@@H]1O[C@H](CC(=O)O)CC2=CC3=C(C(=O)C(C=O)=C(N)C3=O)C(O)=C21', 'state': 'active', 'title': 'actinoquinonal_A_NMR_Data.cosy', 'type': 'dataset', 'url': 'https://nmrxiv.org/D3594', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-02-05T14:45:31.074843', 'format': 'HTML', 'hash': '', 'id': 'aad85334-f108-447b-912b-e770bdd94948', 'last_modified': None, 'metadata_modified': '2025-02-05T14:45:31.065984', 'mimetype': None, 'mimetype_inner': None, 'name': 'actinoquinonal_A_NMR_Data.cosy', 'package_id': 'nmrxiv-d3594', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://nmrxiv.org/D3594', 'url_type': None}], 'tags': [{'display_name': 'correlation-spectroscopy', 'id': 'faf0ca90-8b2b-47a5-a481-a229ae5d6a6e', 'name': 'correlation-spectroscopy', 'state': 'active', 'vocabulary_id': None}], 'variableMeasured': [{'variableMeasured_name': 'NMR solvent', 'variableMeasured_propertyID': 'NMR:1000330', 'variableMeasured_value': 'CDCl3'}, {'variableMeasured_name': 'acquisition nucleus', 'variableMeasured_propertyID': 'NMR:1400083', 'variableMeasured_value': "['1H', '1H']"}, {'variableMeasured_name': 'NMR spectrum by dimensionality', 'variableMeasured_propertyID': 'NMR:1000117', 'variableMeasured_value': '2'}, {'variableMeasured_name': 'NMR probe', 'variableMeasured_propertyID': 'OBI:0000516', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/OBI_0000516', 'variableMeasured_value': '5 mm TXI D/1H-13C/15N XYZ-GRD Z8323/141'}, {'variableMeasured_name': 'Temperature', 'variableMeasured_propertyID': 'NCIT:C25206', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C25206', 'variableMeasured_value': '298'}, {'variableMeasured_name': 'irradiation frequency', 'variableMeasured_propertyID': 'NMR:1400026', 'variableMeasured_value': '[600.05, 600.05]'}, {'variableMeasured_name': 'magnetic field strength', 'variableMeasured_propertyID': 'MR:1400253', 'variableMeasured_value': '14.093131413328843'}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': '256'}, {'variableMeasured_name': 'nuclear magnetic resonance pulse sequence', 'variableMeasured_propertyID': 'CHMO:0001841', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/CHMO_0001841', 'variableMeasured_value': 'cosygpqf'}, {'variableMeasured_name': 'Spectral Width', 'variableMeasured_propertyID': 'NCIT:C156496', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C156496', 'variableMeasured_value': '[20.0302616576581, 20]'}, {'variableMeasured_name': 'number of data points', 'variableMeasured_propertyID': 'NMR:1000176', 'variableMeasured_value': '3'}, {'variableMeasured_name': 'relaxation time measurement', 'variableMeasured_propertyID': 'FIX:0000202', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/FIX_0000202', 'variableMeasured_value': '1.5'}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': '573b3e92-9f0c-4b54-9d3b-42e4c31b0064'}, {'key': 'harvest_source_id', 'value': '289ee33f-3b9e-4677-b96f-56659c421105'}, {'key': 'harvest_source_title', 'value': 'nmrXiv Harvester'}]}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'doi': '10.57992/nmrxiv.p90.s747.d3715', 'id': 'nmrxiv-d3715', 'isopen': False, 'language': 'english', 'license_id': 'CC BY 4.0 Deed', 'license_title': 'Attribution 4.0 International', 'license_url': 'https://creativecommons.org/licenses/by/4.0/legalcode', 'maintainer_email': None, 'measurement_technique': 'correlation spectroscopy', 'measurement_technique_iri': 'CHMO:0000599', 'metadata_created': '2025-02-05T14:45:16.390752', 'metadata_modified': '2025-02-05T14:45:16.390759', 'metadata_published': '2025-01-17 16:21:00', 'name': '10043_m18-cosy', 'notes': 'This dataset contains NMR spectra obtained for the sample -10043_M18 date: 2018-04-24T09:47:13.000Z isFt: true name: 10043_M18/10 phc0: -138.92 phc1: 0 type: NMR Spectrum DECIM: 2080 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.3.b.13 DSPFVS: 21 nucleus: 1H reverse: false solvent: DMSO dimension: 1 increment: null isComplex: true probeName: Z151284_0001 (CP QCI 600S3 H/P/C-N-D-05 Z) experiment: 1d groupDelay: 76 temperature: 297.9991 spectrumSize: 65536 baseFrequency: 600.17 fieldStrength: 14.095949804745555 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 16.0209895665619 numberOfPoints: 1 relaxationTime: 5 acquisitionTime: 0 frequencyOffset: 4201.1900000034075 originFrequency: 600.17420119 pulseStrength90: 31250 experimentNumber: 10 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2018-04-24T11:17:06.000Z isFt: true name: 10043_M18/11 phc0: -113.64 phc1: 0 type: NMR Spectrum DECIM: 2080 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.3.b.13 DSPFVS: 21 nucleus: 1H reverse: false solvent: MeOD dimension: 1 increment: null isComplex: true probeName: Z151284_0001 (CP QCI 600S3 H/P/C-N-D-05 Z) experiment: 1d groupDelay: 76 temperature: 297.9988 spectrumSize: 65536 baseFrequency: 600.17 fieldStrength: 14.095949804745555 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 16.0209895665619 numberOfPoints: 1 relaxationTime: 5 acquisitionTime: 0 frequencyOffset: 4201.1900000034075 originFrequency: 600.17420119 pulseStrength90: 31250 experimentNumber: 11 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2018-04-24T15:05:34.000Z isFt: true name: 10043_M18/12 phc0: -114.06 phc1: 0 type: NMR Spectrum DECIM: 2080 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.3.b.13 DSPFVS: 21 nucleus: 1H reverse: false solvent: MeOD dimension: 1 increment: null isComplex: true probeName: Z151284_0001 (CP QCI 600S3 H/P/C-N-D-05 Z) experiment: 1d groupDelay: 76 temperature: 297.9994 spectrumSize: 65536 baseFrequency: 600.17 fieldStrength: 14.095949804745555 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 16.0209895665619 numberOfPoints: 1 relaxationTime: 5 acquisitionTime: 0 frequencyOffset: 4201.1900000034075 originFrequency: 600.17420119 pulseStrength90: 31250 experimentNumber: 12 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2018-04-24T15:13:52.000Z isFt: true name: 10043_M18/13 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 2080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.0.3.b.13 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: MeOD dimension: 2 increment: null isComplex: false probeName: Z151284_0001 (CP QCI 600S3 H/P/C-N-D-05 Z) experiment: cosy groupDelay: 68 temperature: 297.998 spectrumSize: 1024,1024 baseFrequency: 600.17,600.17 fieldStrength: 14.095949804745555 numberOfScans: 2 pulseSequence: cosygpppqf spectralWidth: 16.0209894419014,16.0209894419014 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 4205.860000070061,4205.860000070061 originFrequency: 600.17420586,600.17420586 pulseStrength90: 31250 experimentNumber: 13 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2018-04-24T16:05:33.000Z isFt: true name: 10043_M18/14 phc0: 246.5069 phc1: 428.6 type: NMR Spectrum DECIM: 584 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.3.b.13 DSPFVS: 20 nucleus: 13C reverse: false solvent: MeOD dimension: 1 increment: null isComplex: true probeName: Z151284_0001 (CP QCI 600S3 H/P/C-N-D-05 Z) experiment: dept groupDelay: 68 temperature: 298.0005 spectrumSize: 32768 baseFrequency: 150.912866534 fieldStrength: 14.092947112083596 numberOfScans: 1024 pulseSequence: deptqgpsp spectralWidth: 226.905635125986 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 15845.851000023004 originFrequency: 150.928712385 pulseStrength90: 20833.333333333332 experimentNumber: 14 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2018-04-24T16:14:33.000Z isFt: true name: 10043_M18/15 phc0: -203.0496,0 phc1: -1.737869,0 type: NMR Spectrum DECIM: 2080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.0.3.b.13 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: MeOD dimension: 2 increment: null isComplex: false probeName: Z151284_0001 (CP QCI 600S3 H/P/C-N-D-05 Z) experiment: hsqc groupDelay: 68 temperature: 297.9998 spectrumSize: 1024,1024 baseFrequency: 600.17,150.912866534 fieldStrength: 14.095949804745555 numberOfScans: 2 pulseSequence: hsqcedetgpsisp2.3 spectralWidth: 16.0209894419014,180.049189498831 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 4205.860000070061,12073.029000021052 originFrequency: 600.17420586,150.924939563 pulseStrength90: 31250 experimentNumber: 15 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 4,4 date: 2018-04-24T16:38:19.000Z isFt: true name: 10043_M18/16 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 2080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.0.3.b.13 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: MeOD dimension: 2 increment: null isComplex: false probeName: Z151284_0001 (CP QCI 600S3 H/P/C-N-D-05 Z) experiment: hmbc groupDelay: 68 temperature: 298.0014 spectrumSize: 2048,1024 baseFrequency: 600.17,150.912866534 fieldStrength: 14.095949804745555 numberOfScans: 8 pulseSequence: hmbcgplpndqf spectralWidth: 16.0209894419014,230.057102280514 numberOfPoints: 1 relaxationTime: 1.5 acquisitionTime: 0 frequencyOffset: 4205.860000070061,15845.851000023004 originFrequency: 600.17420586,150.928712385 pulseStrength90: 31250 experimentNumber: 16 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,3 date: 2018-04-24T19:26:21.000Z isFt: true name: 10043_M18/17 phc0: 39.05418,90 phc1: 71.03886,-180 type: NMR Spectrum DECIM: 2080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.0.3.b.13 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: MeOD dimension: 2 increment: null isComplex: false probeName: Z151284_0001 (CP QCI 600S3 H/P/C-N-D-05 Z) experiment: roesy groupDelay: 68 temperature: 298.0011 spectrumSize: 2048,1024 baseFrequency: 600.17,600.17 fieldStrength: 14.095949804745555 numberOfScans: 8 pulseSequence: roesyphpr.2 spectralWidth: 16.0209894419014,16.0209894419014 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 4205.860000070061,4205.860000070061 originFrequency: 600.17420586,600.17420586 pulseStrength90: 31250 experimentNumber: 17 acquisitionScheme: States-TPPI linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2019-10-18T19:31:13.000Z isFt: true name: 10043_M18/20 phc0: -121.98 phc1: 0 type: NMR Spectrum DECIM: 2080 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.5 DSPFVS: 21 nucleus: 1H reverse: false solvent: DMSO dimension: 1 increment: null isComplex: true probeName: Z151284_0001 (CP QCI 600S3 H/P/C-N-D-05 Z) experiment: 1d groupDelay: 76 temperature: 298.0016 spectrumSize: 65536 baseFrequency: 600.17 fieldStrength: 14.095949804745555 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 16.0209895665619 numberOfPoints: 1 relaxationTime: 5 acquisitionTime: 0 frequencyOffset: 4201.1900000034075 originFrequency: 600.17420119 pulseStrength90: 31250 experimentNumber: 20 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-10-18T20:02:25.000Z isFt: true name: 10043_M18/21 phc0: -222.0082,0 phc1: 19.74452,0 type: NMR Spectrum DECIM: 2080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.0.5 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: DMSO dimension: 2 increment: null isComplex: false probeName: Z151284_0001 (CP QCI 600S3 H/P/C-N-D-05 Z) experiment: hsqc groupDelay: 68 temperature: 298.0019 spectrumSize: 1024,1024 baseFrequency: 600.17,150.912866534 fieldStrength: 14.095949804745555 numberOfScans: 4 pulseSequence: hsqcedetgpsisp2.3 spectralWidth: 16.0209895665619,180.049189498831 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 4201.1900000034075,12073.029000021052 originFrequency: 600.17420119,150.924939563 pulseStrength90: 31250 experimentNumber: 21 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 date: 2019-10-04T15:29:47.000Z isFt: true name: 10043_M18/0 phc0: -80.5 phc1: 0 type: NMR Spectrum DECIM: 2080 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.5 DSPFVS: 21 nucleus: 1H reverse: false solvent: DMSO dimension: 1 increment: null isComplex: true probeName: Z151284_0001 (CP QCI 600S3 H/P/C-N-D-05 Z) experiment: 1d groupDelay: 76 temperature: 298.0026 spectrumSize: 65536 baseFrequency: 600.17 fieldStrength: 14.095949804745555 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 16.0209895665619 numberOfPoints: 1 relaxationTime: 5 acquisitionTime: 0 frequencyOffset: 4201.1900000034075 originFrequency: 600.17420119 pulseStrength90: 31250 experimentNumber: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-10-25T16:12:35.000Z isFt: true name: 10043_M18/0 phc0: -259.94 phc1: 0 type: NMR Spectrum DECIM: 1680 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.5 DSPFVS: 21 nucleus: 1H reverse: false solvent: DMSO dimension: 1 increment: null isComplex: true probeName: Z151284_0001 (CP QCI 600S3 H/P/C-N-D-05 Z) experiment: noesy groupDelay: 76 temperature: 298.0008 spectrumSize: 65536 baseFrequency: 600.17 fieldStrength: 14.095949804745555 numberOfScans: 16 pulseSequence: noesyigld1d spectralWidth: 19.8355208096248 numberOfPoints: 1 relaxationTime: 10 acquisitionTime: 0 frequencyOffset: 3901.105000068128 originFrequency: 600.173901105 pulseStrength90: 26150.62761506276 experimentNumber: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '14e443f8-70e7-497d-9785-3727d79901ab', 'name': 'nmrxiv', 'title': 'nmrXiv', 'type': 'repository', 'description': 'The Open, FAIR and Consensus-Driven NMR spectroscopy data repository and analysis platform.', 'image_url': 'nmrXiv_logo.svg', 'created': '2024-04-22T15:05:05.930653', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '14e443f8-70e7-497d-9785-3727d79901ab', 'private': False, 'related_study': '[]', 'state': 'active', 'title': '10043_M18.cosy', 'type': 'dataset', 'url': 'https://nmrxiv.org/D3715', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-02-05T14:45:16.397352', 'format': 'HTML', 'hash': '', 'id': 'dd944bee-b7b8-46b5-ac14-ebf944342b15', 'last_modified': None, 'metadata_modified': '2025-02-05T14:45:16.384342', 'mimetype': None, 'mimetype_inner': None, 'name': '10043_M18.cosy', 'package_id': 'nmrxiv-d3715', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://nmrxiv.org/D3715', 'url_type': None}], 'tags': [{'display_name': 'correlation-spectroscopy', 'id': 'faf0ca90-8b2b-47a5-a481-a229ae5d6a6e', 'name': 'correlation-spectroscopy', 'state': 'active', 'vocabulary_id': None}], 'variableMeasured': [{'variableMeasured_name': 'NMR solvent', 'variableMeasured_propertyID': 'NMR:1000330', 'variableMeasured_value': 'MeOD'}, {'variableMeasured_name': 'acquisition nucleus', 'variableMeasured_propertyID': 'NMR:1400083', 'variableMeasured_value': "['1H', '1H']"}, {'variableMeasured_name': 'NMR spectrum by dimensionality', 'variableMeasured_propertyID': 'NMR:1000117', 'variableMeasured_value': '2'}, {'variableMeasured_name': 'NMR probe', 'variableMeasured_propertyID': 'OBI:0000516', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/OBI_0000516', 'variableMeasured_value': 'Z151284_0001 (CP QCI 600S3 H/P/C-N-D-05 Z)'}, {'variableMeasured_name': 'Temperature', 'variableMeasured_propertyID': 'NCIT:C25206', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C25206', 'variableMeasured_value': '297.998'}, {'variableMeasured_name': 'irradiation frequency', 'variableMeasured_propertyID': 'NMR:1400026', 'variableMeasured_value': '[600.17, 600.17]'}, {'variableMeasured_name': 'magnetic field strength', 'variableMeasured_propertyID': 'MR:1400253', 'variableMeasured_value': '14.095949804745555'}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': '2'}, {'variableMeasured_name': 'nuclear magnetic resonance pulse sequence', 'variableMeasured_propertyID': 'CHMO:0001841', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/CHMO_0001841', 'variableMeasured_value': 'cosygpppqf'}, {'variableMeasured_name': 'Spectral Width', 'variableMeasured_propertyID': 'NCIT:C156496', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C156496', 'variableMeasured_value': '[16.0209894419014, 16.0209894419014]'}, {'variableMeasured_name': 'number of data points', 'variableMeasured_propertyID': 'NMR:1000176', 'variableMeasured_value': '1'}, {'variableMeasured_name': 'relaxation time measurement', 'variableMeasured_propertyID': 'FIX:0000202', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/FIX_0000202', 'variableMeasured_value': '2'}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': '62acb8d9-2965-4edf-8d03-f01e7a730ed9'}, {'key': 'harvest_source_id', 'value': '289ee33f-3b9e-4677-b96f-56659c421105'}, {'key': 'harvest_source_title', 'value': 'nmrXiv Harvester'}]}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'doi': '10.57992/nmrxiv.p90.s744.d3694', 'id': 'nmrxiv-d3694', 'isopen': False, 'language': 'english', 'license_id': 'CC BY 4.0 Deed', 'license_title': 'Attribution 4.0 International', 'license_url': 'https://creativecommons.org/licenses/by/4.0/legalcode', 'maintainer_email': None, 'measurement_technique': 'correlation spectroscopy', 'measurement_technique_iri': 'CHMO:0000599', 'metadata_created': '2025-02-05T14:43:59.214001', 'metadata_modified': '2025-02-05T14:43:59.214007', 'metadata_published': '2025-01-17 16:21:00', 'name': '10043_m47-cosy', 'notes': 'This dataset contains NMR spectra obtained for the sample -10043_M47 date: 2018-04-24T10:27:37.000Z isFt: true name: 10043_M47/10 phc0: -114.02 phc1: 0 type: NMR Spectrum DECIM: 2080 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.3.b.13 DSPFVS: 21 nucleus: 1H reverse: false solvent: MeOD dimension: 1 increment: null isComplex: true probeName: Z151284_0001 (CP QCI 600S3 H/P/C-N-D-05 Z) experiment: 1d groupDelay: 76 temperature: 297.9985 spectrumSize: 65536 baseFrequency: 600.17 fieldStrength: 14.095949804745555 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 16.0209895665619 numberOfPoints: 1 relaxationTime: 5 acquisitionTime: 0 frequencyOffset: 4201.1900000034075 originFrequency: 600.17420119 pulseStrength90: 31250 experimentNumber: 10 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2018-04-25T19:47:00.000Z isFt: true name: 10043_M47/11 phc0: -110.14 phc1: 0 type: NMR Spectrum DECIM: 2080 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.3.b.13 DSPFVS: 21 nucleus: 1H reverse: false solvent: MeOD dimension: 1 increment: null isComplex: true probeName: Z151284_0001 (CP QCI 600S3 H/P/C-N-D-05 Z) experiment: 1d groupDelay: 76 temperature: 297.9975 spectrumSize: 65536 baseFrequency: 600.17 fieldStrength: 14.095949804745555 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 16.0209895665619 numberOfPoints: 1 relaxationTime: 5 acquisitionTime: 0 frequencyOffset: 4201.1900000034075 originFrequency: 600.17420119 pulseStrength90: 31250 experimentNumber: 11 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2018-04-25T19:55:19.000Z isFt: true name: 10043_M47/12 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 2080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.0.3.b.13 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: MeOD dimension: 2 increment: null isComplex: false probeName: Z151284_0001 (CP QCI 600S3 H/P/C-N-D-05 Z) experiment: cosy groupDelay: 68 temperature: 297.9985 spectrumSize: 1024,1024 baseFrequency: 600.17,600.17 fieldStrength: 14.095949804745555 numberOfScans: 2 pulseSequence: cosygpppqf spectralWidth: 16.0209894419014,16.0209894419014 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 4205.860000070061,4205.860000070061 originFrequency: 600.17420586,600.17420586 pulseStrength90: 31250 experimentNumber: 12 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2018-04-25T20:47:00.000Z isFt: true name: 10043_M47/13 phc0: 246.5069 phc1: 428.6 type: NMR Spectrum DECIM: 584 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.3.b.13 DSPFVS: 20 nucleus: 13C reverse: false solvent: MeOD dimension: 1 increment: null isComplex: true probeName: Z151284_0001 (CP QCI 600S3 H/P/C-N-D-05 Z) experiment: dept groupDelay: 68 temperature: 297.9986 spectrumSize: 32768 baseFrequency: 150.912866534 fieldStrength: 14.092947112083596 numberOfScans: 1024 pulseSequence: deptqgpsp spectralWidth: 226.905635125986 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 15845.851000023004 originFrequency: 150.928712385 pulseStrength90: 20833.333333333332 experimentNumber: 13 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2018-04-25T20:56:00.000Z isFt: true name: 10043_M47/14 phc0: -219.7413,0 phc1: 21.42456,0 type: NMR Spectrum DECIM: 2080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.0.3.b.13 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: MeOD dimension: 2 increment: null isComplex: false probeName: Z151284_0001 (CP QCI 600S3 H/P/C-N-D-05 Z) experiment: hsqc groupDelay: 68 temperature: 297.998 spectrumSize: 1024,1024 baseFrequency: 600.17,150.912866534 fieldStrength: 14.095949804745555 numberOfScans: 2 pulseSequence: hsqcedetgpsisp2.3 spectralWidth: 16.0209894419014,180.049189498831 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 4205.860000070061,12073.029000021052 originFrequency: 600.17420586,150.924939563 pulseStrength90: 31250 experimentNumber: 14 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 4,4 date: 2018-04-25T21:19:45.000Z isFt: true name: 10043_M47/15 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 2080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.0.3.b.13 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: MeOD dimension: 2 increment: null isComplex: false probeName: Z151284_0001 (CP QCI 600S3 H/P/C-N-D-05 Z) experiment: hmbc groupDelay: 68 temperature: 297.9998 spectrumSize: 2048,1024 baseFrequency: 600.17,150.912866534 fieldStrength: 14.095949804745555 numberOfScans: 8 pulseSequence: hmbcgplpndqf spectralWidth: 16.0209894419014,230.057102280514 numberOfPoints: 1 relaxationTime: 1.5 acquisitionTime: 0 frequencyOffset: 4205.860000070061,15845.851000023004 originFrequency: 600.17420586,150.928712385 pulseStrength90: 31250 experimentNumber: 15 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,3 date: 2018-04-26T00:07:47.000Z isFt: true name: 10043_M47/16 phc0: 82.35535,90 phc1: 2.402674,-180 type: NMR Spectrum DECIM: 2080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.0.3.b.13 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: MeOD dimension: 2 increment: null isComplex: false probeName: Z151284_0001 (CP QCI 600S3 H/P/C-N-D-05 Z) experiment: roesy groupDelay: 68 temperature: 297.9978 spectrumSize: 2048,1024 baseFrequency: 600.17,600.17 fieldStrength: 14.095949804745555 numberOfScans: 8 pulseSequence: roesyphpr.2 spectralWidth: 16.0209894419014,16.0209894419014 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 4205.860000070061,4205.860000070061 originFrequency: 600.17420586,600.17420586 pulseStrength90: 31250 experimentNumber: 16 acquisitionScheme: States-TPPI linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2019-10-19T17:12:34.000Z isFt: true name: 10043_M47/20 phc0: -119.02 phc1: 0 type: NMR Spectrum DECIM: 2080 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.5 DSPFVS: 21 nucleus: 1H reverse: false solvent: DMSO dimension: 1 increment: null isComplex: true probeName: Z151284_0001 (CP QCI 600S3 H/P/C-N-D-05 Z) experiment: 1d groupDelay: 76 temperature: 297.9995 spectrumSize: 65536 baseFrequency: 600.17 fieldStrength: 14.095949804745555 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 16.0209895665619 numberOfPoints: 1 relaxationTime: 5 acquisitionTime: 0 frequencyOffset: 4201.1900000034075 originFrequency: 600.17420119 pulseStrength90: 31250 experimentNumber: 20 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-10-19T17:43:47.000Z isFt: true name: 10043_M47/21 phc0: -218.3409,0 phc1: 12.4171,0 type: NMR Spectrum DECIM: 2080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.0.5 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: DMSO dimension: 2 increment: null isComplex: false probeName: Z151284_0001 (CP QCI 600S3 H/P/C-N-D-05 Z) experiment: hsqc groupDelay: 68 temperature: 298.0005 spectrumSize: 1024,1024 baseFrequency: 600.17,150.912866534 fieldStrength: 14.095949804745555 numberOfScans: 4 pulseSequence: hsqcedetgpsisp2.3 spectralWidth: 16.0209895665619,180.049189498831 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 4201.1900000034075,12073.029000021052 originFrequency: 600.17420119,150.924939563 pulseStrength90: 31250 experimentNumber: 21 acquisitionScheme: Echo-antiecho 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'InChI=1S/C31H30O6/c1-35-22-6-4-5-18(11-22)7-8-20-12-23(36-2)16-29(34)31(20)26-17-25-19(14-27(26)32)9-10-21-13-24(37-3)15-28(33)30(21)25/h4-6,11-17,32-34H,7-10H2,1-3H3', 'inchi_key': 'BNERSLYPSYJWCL-UHFFFAOYSA-N', 'isopen': False, 'language': 'english', 'license_title': None, 'maintainer_email': None, 'measurement_technique': 'correlation spectroscopy', 'measurement_technique_iri': 'CHMO:0000599', 'metadata_created': '2025-02-03T17:07:22.154267', 'metadata_modified': '2025-02-03T17:07:22.154274', 'metadata_published': '2025-01-16 04:42:00', 'name': 'calancardin-b-cosy', 'notes': 'This dataset contains NMR spectra obtained for the sample -Calancardin B date: 2022-09-26T13:56:58.000Z isFt: true name: Calancardin B/0 phc0: 116.1641 phc1: -18.90791 type: NMR Spectrum DECIM: 840 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.1.3 DSPFVS: 21 nucleus: 13C reverse: false solvent: Acetone dimension: 1 increment: 16.90052117616536 isComplex: true probeName: Z167430_0027 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: 1d groupDelay: 76 temperature: 298.1472 spectrumSize: 65536 baseFrequency: 100.61779753 fieldStrength: 9.396159066431597 numberOfScans: 5000 pulseSequence: zgpg30 spectralWidth: 236.607296466315 numberOfPoints: 15 relaxationTime: 2 acquisitionTime: 0.0002940000000000002 frequencyOffset: 11067.957728002399 originFrequency: 100.628865487728 pulseStrength90: 23148.148148148146 experimentNumber: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-09-23T11:50:47.000Z isFt: true name: Calancardin B/0 phc0: -301.6676 phc1: -0.929837 type: NMR Spectrum DECIM: 2440 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.1.3 DSPFVS: 21 nucleus: 1H reverse: false solvent: Acetone dimension: 1 increment: 0.3593684005095737 isComplex: true probeName: Z167430_0027 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: 1d groupDelay: 76 temperature: 298.1526 spectrumSize: 65536 baseFrequency: 400.15 fieldStrength: 9.398161044985478 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 20.4839988290457 numberOfPoints: 58 relaxationTime: 1 acquisitionTime: 0.0034769999999999936 frequencyOffset: 2400.8999999978187 originFrequency: 400.1524009 pulseStrength90: 20833.333333333332 experimentNumber: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-09-26T21:26:56.000Z isFt: true name: Calancardin B/0 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 2440 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.3 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: Acetone dimension: 2 increment: 5.12098434440055 isComplex: false probeName: Z167430_0027 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: cosy groupDelay: 68 temperature: 298.142 spectrumSize: 2048,1024 baseFrequency: 400.15,400.15 fieldStrength: 9.398161044985478 numberOfScans: 24 pulseSequence: cosygpppqf spectralWidth: 20.4839373776022,20.4839382977791 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00024400000000000048 frequencyOffset: 3601.349999996728,3601.349999996728 originFrequency: 400.15360135,400.15360135 pulseStrength90: 20833.333333333332 experimentNumber: 0 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,640 lpNumberOfCoefficients: 0,80 windowMultiplicationMode: 4,4 date: 2022-09-26T19:32:14.000Z isFt: true name: Calancardin B/0 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 2440 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.3 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: Acetone dimension: 2 increment: 4.09678747552044 isComplex: false probeName: Z167430_0027 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: hmbc groupDelay: 68 temperature: 298.1485 spectrumSize: 4096,1024 baseFrequency: 400.15,100.61779753 fieldStrength: 9.398161044985478 numberOfScans: 64 pulseSequence: hmbcetgpl3nd spectralWidth: 20.4839373776022,236.607299999999 numberOfPoints: 6 relaxationTime: 2 acquisitionTime: 0.0003050000000000006 frequencyOffset: 3601.349999996728,11067.957728002399 originFrequency: 400.15360135,100.628865487728 pulseStrength90: 20833.333333333332 experimentNumber: 0 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,800 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 3,4 date: 2022-09-26T15:22:44.000Z isFt: true name: Calancardin B/0 phc0: -122.9406,0 phc1: 0,0 type: NMR Spectrum DECIM: 2440 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.3 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: Acetone dimension: 2 increment: 5.12098434440055 isComplex: false probeName: Z167430_0027 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: hsqc groupDelay: 68 temperature: 298.1404 spectrumSize: 2048,2048 baseFrequency: 400.15,100.61779753 fieldStrength: 9.398161044985478 numberOfScans: 24 pulseSequence: hsqcedetgpsp.3 spectralWidth: 20.4839373776022,236.607299999999 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00024400000000000048 frequencyOffset: 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', 'page': Page:
Collection type: <class 'list'>
(Current) page: 1
First item: 1
Last item: 20
First page: 1
Last page: 19
Previous page: None
Next page: 2
Items per page: 20
Number of items: 374
Number of pages: 19
} |
