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'2025-05-24T13:43:44.544277', 'metadata_published': '2025-05-19 20:33:17', 'name': '7glyosyloxazolomycind13', '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 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'http://purl.obolibrary.org/obo/NCIT_C25206', 'variableMeasured_value': '297.9997'}, {'variableMeasured_name': 'irradiation frequency', 'variableMeasured_propertyID': 'NMR:1400026', 'variableMeasured_value': '[700.206, 176.066938741]'}, {'variableMeasured_name': 'magnetic field strength', 'variableMeasured_propertyID': 'MR:1400253', 'variableMeasured_value': '16.44545483609922'}, {'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': 'hsqcedetgpsisp2.3'}, {'variableMeasured_name': 'Spectral Width', 'variableMeasured_propertyID': 'NCIT:C156496', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C156496', 'variableMeasured_value': '[15.9391119621992, 165.093955631663]'}, {'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': '4eeb47ff-7609-40d4-a3ba-6ce0ddc9ea9e'}, {'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.p113.s1167.d5105', 'id': 'nmrxiv-d5105', 'inchi': 'InChI=1S/C20H26N4O6/c1-11(17(26)22-14-7-5-9-24(29)20(14)28)10-21-18(27)16-12(2)30-19(23-16)13-6-3-4-8-15(13)25/h3-4,6,8,11-12,14,16,25,29H,5,7,9-10H2,1-2H3,(H,21,27)(H,22,26)/t11-,12-,14-,16+/m1/s1', 'inchi_key': 'JSHPVLDCNNBYHL-NCZKRNLISA-N', 'isopen': False, 'language': 'english', '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': 'heteronuclear single quantum coherence', 'measurement_technique_iri': 'CHMO:0000604', 'metadata_created': '2025-05-17T13:43:29.501704', 'metadata_modified': '2025-05-24T13:43:37.975085', 'metadata_published': '2025-05-15 13:02:47', 'name': 'kasichelina14', '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 windowMultiplicationMode: 3,3', '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': 'O=C([C@H](C)CNC([C@H]1N=C(C2=CC=CC=C2O)O[C@@H]1C)=O)N[C@@H]3CCCN(O)C3=O', 'state': 'active', 'title': 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'2025-05-17T13:43:21.942270', 'metadata_modified': '2025-05-24T13:43:30.897227', 'metadata_published': '2025-05-15 13:02:47', 'name': 'kasichelinc14', 'notes': 'This dataset contains NMR spectra obtained for the sample -kasichelinC date: 2021-09-07T18:26:18.000Z isFt: true name: kasichelinC/10 phc0: -7.695903 phc1: 29.67813 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: 297.9984 spectrumSize: 65536 baseFrequency: 700.29 fieldStrength: 16.447427710090917 numberOfScans: 32 pulseSequence: zg30 spectralWidth: 20.1311703835228 numberOfPoints: 1 relaxationTime: 5 acquisitionTime: 0 frequencyOffset: 4324.289999999564 originFrequency: 700.29432429 pulseStrength90: 31250 experimentNumber: 10 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2021-09-07T19:38:03.000Z isFt: true name: kasichelinC/11 phc0: -19.69522 phc1: 16.73573 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: 297.9996 spectrumSize: 131072 baseFrequency: 176.088060558 fieldStrength: 16.44392411003719 numberOfScans: 800 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: 2021-09-07T19:39:41.000Z isFt: true name: kasichelinC/12 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 2760 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: 67.9857330322266 temperature: 298.0002 spectrumSize: 1024,1024 baseFrequency: 700.29,700.29 fieldStrength: 16.447427710090917 numberOfScans: 8 pulseSequence: cosygpppqf spectralWidth: 10.3476367965976,10.3476367965976 numberOfPoints: 1 relaxationTime: 1.971328 acquisitionTime: 0 frequencyOffset: 2922.3392200492526,2922.3392200492526 originFrequency: 700.29292233922,700.29292233922 pulseStrength90: 31250 experimentNumber: 12 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2021-09-07T20:18:01.000Z isFt: true name: kasichelinC/13 phc0: 84.69857,180 phc1: 27.88001,-180 type: NMR Spectrum DECIM: 2760 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: 67.9857330322266 temperature: 298.0012 spectrumSize: 1024,1024 baseFrequency: 700.29,700.29 fieldStrength: 16.447427710090917 numberOfScans: 8 pulseSequence: mlevphpp spectralWidth: 10.3476367965976,10.3476367965976 numberOfPoints: 1 relaxationTime: 2.004915 acquisitionTime: 0 frequencyOffset: 2922.3392200492526,2922.3392200492526 originFrequency: 700.29292233922,700.29292233922 pulseStrength90: 31250 experimentNumber: 13 acquisitionScheme: States-TPPI linearPredictionBin: 0,512 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2021-09-07T21:37:54.000Z isFt: false name: kasichelinC/14 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: MeOD 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: 298.0014 spectrumSize: 1024,1024 baseFrequency: 700.29,176.088060558 digitalFilter: 67.9841766357422 fieldStrength: 16.447427710090917 numberOfScans: 4 pulseSequence: hsqcedetgpsisp2.3 spectralWidth: 15.9372000608372,165.074152561057 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 3291.363000016645,13206.604999993488 originFrequency: 700.293291363,176.101267163 pulseStrength90: 31250 experimentNumber: 14 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 4,4 date: 2021-09-07T22:15:41.000Z isFt: true name: kasichelinC/15 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 2760 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 1H,13C 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AEII-050B_FULL_NaBH4_3OH_delta4_TMSC1_17OH_01_08_2024_FULL/1 phc0: -93.72746 phc1: 49.68005 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: 2024-01-09T04:42:32.000Z isFt: true name: AEII-050B_FULL_NaBH4_3OH_delta4_TMSC1_17OH_01_08_2024_FULL/2 phc0: -16.55622 phc1: -163.1828 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: 70.991059602238 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 76 temperature: 298.1494 spectrumSize: 131072 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 512 pulseSequence: udeft spectralWidth: 283.964238408952 numberOfPoints: 5 relaxationTime: 4 acquisitionTime: 0.00005599999999999992 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 15625 experimentNumber: 2 linearPredictionBin: 262144 lpNumberOfCoefficients: 4096 windowMultiplicationMode: 1 date: 2024-01-09T04:49:15.000Z isFt: true name: AEII-050B_FULL_NaBH4_3OH_delta4_TMSC1_17OH_01_08_2024_FULL/3 phc0: -5.940369 phc1: 234.8051 type: NMR Spectrum DECIM: 560 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 70.991059602238 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: dept groupDelay: 67.9910888671875 temperature: 298.1491 spectrumSize: 32768 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 128 pulseSequence: deptsp90 spectralWidth: 283.964238408952 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00005599999999999992 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 15625 experimentNumber: 3 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-09T05:02:05.000Z isFt: true name: AEII-050B_FULL_NaBH4_3OH_delta4_TMSC1_17OH_01_08_2024_FULL/4 phc0: -75.8622 phc1: 348.861 type: NMR Spectrum DECIM: 560 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 70.99247931054725 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: dept groupDelay: 67.9910888671875 temperature: 298.1513 spectrumSize: 32768 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 256 pulseSequence: deptsp135 spectralWidth: 283.969917242189 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00005600000000000007 frequencyOffset: 10060.621999997466 originFrequency: 125.767849148 pulseStrength90: 15625 experimentNumber: 4 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-09T05:09:34.000Z isFt: true name: AEII-050B_FULL_NaBH4_3OH_delta4_TMSC1_17OH_01_08_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: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hsqc groupDelay: 76 temperature: 298.1504 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: 2024-01-09T05:20:13.000Z isFt: true name: AEII-050B_FULL_NaBH4_3OH_delta4_TMSC1_17OH_01_08_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: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hmbc groupDelay: 67.985595703125 temperature: 298.1494 spectrumSize: 4096,2048 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: 2024-01-09T05:21:47.000Z isFt: true name: AEII-050B_FULL_NaBH4_3OH_delta4_TMSC1_17OH_01_08_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: 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: 24703.557312252968 experimentNumber: 7 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2024-01-09T06:05:53.000Z isFt: true name: AEII-050B_FULL_NaBH4_3OH_delta4_TMSC1_17OH_01_08_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: 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: 4 relaxationTime: 2 acquisitionTime: 0.00030000000000000003 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@]12CCC3C(CCC4=CC(O)C[C@H](O[Si](C)(C)C)[C@@]43C)C1CC[C@@H]2O', 'state': 'active', 'title': 'AEII-050B_FULL_NaBH4_3OH_delta4_TMSC1_17OH_01_08_2024_FULL.hsqc', 'type': 'dataset', 'url': 'https://nmrxiv.org/D4235', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-04-19T13:44:31.972023', 'format': 'HTML', 'hash': '', 'id': '0c428de0-abdb-45a5-b1c5-66fd22ebe689', 'last_modified': None, 'metadata_modified': '2025-04-19T13:44:31.960960', 'mimetype': None, 'mimetype_inner': None, 'name': 'AEII-050B_FULL_NaBH4_3OH_delta4_TMSC1_17OH_01_08_2024_FULL.hsqc', 'package_id': 'nmrxiv-d4235', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://nmrxiv.org/D4235', 'url_type': None}], 'tags': [{'display_name': 'heteronuclear-single-quantum-coherence', 'id': '43172fa5-8232-461e-8d49-dce2eb598ab1', 'name': 'heteronuclear-single-quantum-coherence', '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', '13C']"}, {'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': '298.1504'}, {'variableMeasured_name': 'irradiation frequency', 'variableMeasured_propertyID': 'NMR:1400026', 'variableMeasured_value': '[500.13, 125.757788526]'}, {'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': 'hsqcedetgpsisp2.3'}, {'variableMeasured_name': 'Spectral Width', 'variableMeasured_propertyID': 'NCIT:C156496', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C156496', 'variableMeasured_value': '[12.983576218522, 164.962602395549]'}, {'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': '1.5'}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': '3ec6a51c-42a4-43e0-9f0b-9289ff1930e2'}, {'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.d4345', 'id': 'nmrxiv-d4345', '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': 'heteronuclear single quantum coherence', 'measurement_technique_iri': 'CHMO:0000604', 'metadata_created': '2025-03-22T14:45:16.422430', 'metadata_modified': '2025-04-19T13:44:27.450540', 'metadata_published': '2025-03-20 23:01:25', 'name': 'aeiv-086b_c1_c17_b_diol_c3_otbdms_deuterated_03-05-2025_full-hsqc', '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', 'private': False, 'related_molecule': '[]', 'smiles': 'CC.[2H][C@]1(O)CCC2C3CCC4=C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]([2H])(O)[C@]4(C)C3CC[C@@]21C', 'state': 'active', 'title': 'AEIV-086B_C1_C17_b_diol_C3_OTBDMS_deuterated_03.05.2025_FULL.hsqc', 'type': 'dataset', 'url': 'https://nmrxiv.org/D4345', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-04-19T13:44:27.464725', 'format': 'HTML', 'hash': '', 'id': '902e4892-d313-42f6-a7ae-a953c646b5a8', 'last_modified': None, 'metadata_modified': '2025-04-19T13:44:27.455781', 'mimetype': None, 'mimetype_inner': None, 'name': 'AEIV-086B_C1_C17_b_diol_C3_OTBDMS_deuterated_03.05.2025_FULL.hsqc', 'package_id': 'nmrxiv-d4345', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://nmrxiv.org/D4345', 'url_type': None}], 'tags': [{'display_name': 'heteronuclear-single-quantum-coherence', 'id': '43172fa5-8232-461e-8d49-dce2eb598ab1', 'name': 'heteronuclear-single-quantum-coherence', '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', '13C']"}, {'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': '298.1507'}, {'variableMeasured_name': 'irradiation frequency', 'variableMeasured_propertyID': 'NMR:1400026', 'variableMeasured_value': '[500.13, 125.757788526]'}, {'variableMeasured_name': 'magnetic field strength', 'variableMeasured_propertyID': 'MR:1400253', 'variableMeasured_value': '11.746350827011339'}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': '16'}, 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'name': 'aeiv-022b_c1_c17_diol_c3_otbdms_08-19-2024_full-hsqc', '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.hsqc', 'type': 'dataset', 'url': 'https://nmrxiv.org/D4279', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-04-19T13:44:15.854406', 'format': 'HTML', 'hash': '', 'id': '89f4c8ba-3f24-4e43-9b2b-cc1a96c89ade', 'last_modified': None, 'metadata_modified': '2025-04-19T13:44:15.845385', 'mimetype': None, 'mimetype_inner': None, 'name': 'AEIV-022B_C1_C17_diol_C3_OTBDMS_08.19.2024_FULL.hsqc', 'package_id': 'nmrxiv-d4279', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://nmrxiv.org/D4279', 'url_type': None}], 'tags': [{'display_name': 'heteronuclear-single-quantum-coherence', 'id': '43172fa5-8232-461e-8d49-dce2eb598ab1', 'name': 'heteronuclear-single-quantum-coherence', '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', '13C']"}, {'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': '298.1497'}, {'variableMeasured_name': 'irradiation frequency', 'variableMeasured_propertyID': 'NMR:1400026', 'variableMeasured_value': '[500.13, 125.757788526]'}, {'variableMeasured_name': 'magnetic field strength', 'variableMeasured_propertyID': 'MR:1400253', 'variableMeasured_value': '11.746350827011339'}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': '16'}, {'variableMeasured_name': 'nuclear magnetic resonance pulse sequence', 'variableMeasured_propertyID': 'CHMO:0001841', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/CHMO_0001841', 'variableMeasured_value': 'hsqcedetgpsisp2.3'}, {'variableMeasured_name': 'Spectral Width', 'variableMeasured_propertyID': 'NCIT:C156496', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C156496', 'variableMeasured_value': '[12.983576218522, 164.962602395549]'}, {'variableMeasured_name': 'number of data points', 'variableMeasured_propertyID': 'NMR:1000176', 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CC0 1.0 Legal Code ', 'license_url': 'https://creativecommons.org/publicdomain/zero/1.0/legalcode', 'maintainer_email': None, 'measurement_technique': 'heteronuclear single quantum coherence', 'measurement_technique_iri': 'CHMO:0000604', 'metadata_created': '2025-03-22T14:44:44.216104', 'metadata_modified': '2025-04-19T13:43:59.681217', 'metadata_published': '2025-03-20 23:01:25', 'name': '8_aeiv-013c_c1_oh_ad_08-19-2024_full-hsqc', 'notes': 'This dataset contains NMR spectra obtained for the sample -8_AEIV-013C_C1_OH_AD_08.19.2024_FULL date: 2024-08-19T20:51:21.000Z isFt: true name: 8_AEIV-013C_C1_OH_AD_08.19.2024_FULL/1 phc0: -15.96277 phc1: 34.92797 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: 0.5712765109864314 isComplex: true probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298.1494 spectrumSize: 65536 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 8 pulseSequence: zg30 spectralWidth: 19.9946778845251 numberOfPoints: 36 relaxationTime: 1 acquisitionTime: 0.0017500000000015333 frequencyOffset: 3088.3019999805583 originFrequency: 500.133088302 pulseStrength90: 19607.843137254902 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-08-20T05:07:18.000Z isFt: true name: 8_AEIV-013C_C1_OH_AD_08.19.2024_FULL/10 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: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298.15 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: 19607.843137254902 experimentNumber: 10 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-08-20T03:48:42.000Z isFt: true name: 8_AEIV-013C_C1_OH_AD_08.19.2024_FULL/2 phc0: -63.89922 phc1: -10.94464 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: 3.8373545730939456 isComplex: true probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: 1d groupDelay: 76 temperature: 298.1523 spectrumSize: 131072 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 500 pulseSequence: udeft spectralWidth: 283.964238408952 numberOfPoints: 75 relaxationTime: 4 acquisitionTime: 0.0010359999999999985 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 23584.90566037736 experimentNumber: 2 linearPredictionBin: 262144 lpNumberOfCoefficients: 4096 windowMultiplicationMode: 1 date: 2024-08-20T03:51:37.000Z isFt: true name: 8_AEIV-013C_C1_OH_AD_08.19.2024_FULL/3 phc0: 47.51572 phc1: 191.9887 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: 298.1505 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: 2024-08-20T03:59:27.000Z isFt: true name: 8_AEIV-013C_C1_OH_AD_08.19.2024_FULL/4 phc0: 21.59372 phc1: 256.3957 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: 298.151 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: 23584.90566037736 experimentNumber: 4 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-08-20T04:14:50.000Z isFt: true name: 8_AEIV-013C_C1_OH_AD_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: 3.2458940546305 isComplex: false probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: hsqc groupDelay: 76 temperature: 298.1504 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: 2024-08-20T04:36:25.000Z isFt: true name: 8_AEIV-013C_C1_OH_AD_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: 298.1512 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: 2024-08-20T04:38:30.000Z isFt: true name: 8_AEIV-013C_C1_OH_AD_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: 298.1507 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: 2024-08-20T05:01:06.000Z isFt: true name: 8_AEIV-013C_C1_OH_AD_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: 298.1511 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: 2024-08-20T05:04:24.000Z isFt: true name: 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