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'2025-05-24T13:43:46.031349', 'metadata_published': '2025-05-19 20:33:17', 'name': '7glyosyloxazolomycind14', '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, 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'GAOMIEWINGYRQD-CVMIBZJCSA-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 multiple bond coherence', 'measurement_technique_iri': 'CHMO:0000601', 'metadata_created': '2025-05-17T13:43:23.458122', 'metadata_modified': '2025-05-24T13:43:32.382865', 'metadata_published': '2025-05-15 13:02:47', 'name': 'kasichelinc15', '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 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: 67.9857330322266 temperature: 297.9995 spectrumSize: 2048,1024 baseFrequency: 700.29,176.088060558 fieldStrength: 16.447427710090917 numberOfScans: 8 pulseSequence: hmbcgplpndqf spectralWidth: 10.3476367965976,220.093368160491 numberOfPoints: 1 relaxationTime: 1.471328 acquisitionTime: 0 frequencyOffset: 2922.3392200492526,17608.805999998367 originFrequency: 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'2'}, {'variableMeasured_name': 'NMR probe', 'variableMeasured_propertyID': 'OBI:0000516', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/OBI_0000516', 'variableMeasured_value': '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': '297.9995'}, {'variableMeasured_name': 'irradiation frequency', 'variableMeasured_propertyID': 'NMR:1400026', 'variableMeasured_value': '[700.29, 176.088060558]'}, {'variableMeasured_name': 'magnetic field strength', 'variableMeasured_propertyID': 'MR:1400253', 'variableMeasured_value': '16.447427710090917'}, {'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': 'hmbcgplpndqf'}, {'variableMeasured_name': 'Spectral Width', 'variableMeasured_propertyID': 'NCIT:C156496', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C156496', 'variableMeasured_value': '[10.3476367965976, 220.093368160491]'}, {'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': '1.471328'}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': '4a2cad71-d2ed-45e5-8a51-9fd1c42522a2'}, {'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.s1164.d5088', 'id': 'nmrxiv-d5088', 'inchi': 'InChI=1S/C19H24N4O7/c1-10-15(22-18(30-10)11-4-2-6-13(24)16(11)26)17(27)20-8-7-14(25)21-12-5-3-9-23(29)19(12)28/h2,4,6,10,12,15,24,26,29H,3,5,7-9H2,1H3,(H,20,27)(H,21,25)/t10-,12-,15+/m1/s1', 'inchi_key': 'GCVYTGXLUDPOLF-HCKVZZMMSA-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 multiple bond coherence', 'measurement_technique_iri': 'CHMO:0000601', 'metadata_created': '2025-05-17T13:43:18.575220', 'metadata_modified': '2025-05-24T13:43:27.417935', 'metadata_published': '2025-05-15 13:02:47', 'name': 'kasichelind15', 'notes': 'This dataset contains NMR spectra obtained for the sample -kasichelinD date: 2021-09-07T13:27:36.000Z isFt: true name: kasichelinD/10 phc0: -5.708842 phc1: 25.3512 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: 297.9997 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: 2021-09-07T14:40:29.000Z isFt: true name: kasichelinD/11 phc0: -22.83742 phc1: 23.44571 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: 297.9992 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: 2021-09-07T14:42:07.000Z isFt: true name: kasichelinD/12 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 2680 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: 67.9857788085938 temperature: 297.9997 spectrumSize: 1024,1024 baseFrequency: 700.29,700.29 fieldStrength: 16.447427710090917 numberOfScans: 8 pulseSequence: cosygpppqf spectralWidth: 10.6565223822153,10.6565223822153 numberOfPoints: 1 relaxationTime: 1.975424 acquisitionTime: 0 frequencyOffset: 2862.8591539927584,2862.8591539927584 originFrequency: 700.292862859154,700.292862859154 pulseStrength90: 31250 experimentNumber: 12 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2021-09-07T15:20:27.000Z isFt: true name: kasichelinD/13 phc0: 83.51821,180 phc1: 29.69525,-180 type: NMR Spectrum DECIM: 2680 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: 67.9857788085938 temperature: 297.9987 spectrumSize: 1024,1024 baseFrequency: 700.29,700.29 fieldStrength: 16.447427710090917 numberOfScans: 8 pulseSequence: mlevphpp spectralWidth: 10.6565223822153,10.6565223822153 numberOfPoints: 1 relaxationTime: 2.009011 acquisitionTime: 0 frequencyOffset: 2862.8591539927584,2862.8591539927584 originFrequency: 700.292862859154,700.292862859154 pulseStrength90: 31250 experimentNumber: 13 acquisitionScheme: States-TPPI linearPredictionBin: 0,512 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2021-09-07T16:40:20.000Z isFt: false name: kasichelinD/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: 298.0003 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: 2021-09-07T17:18:08.000Z isFt: true name: kasichelinD/15 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 2680 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: 67.9857788085938 temperature: 297.9998 spectrumSize: 2048,1024 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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: 298.1475 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: 2025-03-06T07:34:47.000Z isFt: true name: AEIV-051B_C17_OH_AD_03.05.2025_FULL/2 phc0: -116.4651 phc1: 17.67444 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: 18.930949227263465 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 76 temperature: 298.1487 spectrumSize: 131072 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 500 pulseSequence: udeft spectralWidth: 283.964238408952 numberOfPoints: 16 relaxationTime: 4 acquisitionTime: 0.00020999999999999968 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 14662.756598240469 experimentNumber: 2 linearPredictionBin: 262144 lpNumberOfCoefficients: 4096 windowMultiplicationMode: 1 date: 2025-03-06T07:42:39.000Z isFt: false name: AEIV-051B_C17_OH_AD_03.05.2025_FULL/3 phc0: 0 phc1: 0 type: NMR FID DECIM: 672 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.7.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: dept groupDelay: 67.9838256835938 temperature: 298.1515 spectrumSize: 32768 baseFrequency: 125.757788526 digitalFilter: 67.9838256835938 fieldStrength: 11.743848641495527 numberOfScans: 128 pulseSequence: deptsp90 spectralWidth: 236.636865341416 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 14662.756598240469 experimentNumber: 3 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2025-03-06T07:45:34.000Z isFt: true name: AEIV-051B_C17_OH_AD_03.05.2025_FULL/4 phc0: 7.895767 phc1: 205.1161 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: 298.1514 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: 4 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2025-03-06T08:00:57.000Z isFt: true name: AEIV-051B_C17_OH_AD_03.05.2025_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: 3.2458940546305 isComplex: false probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hsqc groupDelay: 76 temperature: 298.1495 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: 5 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 4,4 date: 2025-03-06T08:22:32.000Z isFt: true name: AEIV-051B_C17_OH_AD_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,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: 298.1478 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: 2025-03-06T08:24:31.000Z isFt: true name: AEIV-051B_C17_OH_AD_03.05.2025_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: 298.1471 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: 2025-03-06T08:47:07.000Z isFt: true name: AEIV-051B_C17_OH_AD_03.05.2025_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: 4.998676844130975 isComplex: false probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: noesy groupDelay: 67.9842834472656 temperature: 298.1477 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: 8 acquisitionScheme: States-TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 date: 2025-03-06T08:50:24.000Z isFt: true name: AEIV-051B_C17_OH_AD_03.05.2025_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: 298.1503 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', '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=CC(=O)C=C1CCC1C2CC[C@@]2(C)C1CC[C@@H]2O', 'state': 'active', 'title': 'AEIV-051B_C17_OH_AD_03.05.2025_FULL.hmbc', 'type': 'dataset', 'url': 'https://nmrxiv.org/D4356', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-04-19T13:44:06.877759', 'format': 'HTML', 'hash': '', 'id': '4f0fecd5-d6f7-4cb1-8cef-7b3bfd8ab7bd', 'last_modified': None, 'metadata_modified': '2025-04-19T13:44:06.868932', 'mimetype': None, 'mimetype_inner': None, 'name': 'AEIV-051B_C17_OH_AD_03.05.2025_FULL.hmbc', 'package_id': 'nmrxiv-d4356', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://nmrxiv.org/D4356', 'url_type': None}], 'tags': [{'display_name': 'heteronuclear-multiple-bond-coherence', 'id': 'ff8aacdb-a2ed-4f4c-969c-554146a8a046', 'name': 'heteronuclear-multiple-bond-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': '298.1478'}, {'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': 'hmbcetgpl3nd'}, {'variableMeasured_name': 'Spectral Width', 'variableMeasured_propertyID': 'NCIT:C156496', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C156496', 'variableMeasured_value': '[12.9835658317182, 239.487911911164]'}, {'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': '09bfb87e-9b7c-4fb9-a89b-ab42027fb435'}, {'key': 'harvest_source_id', 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'13_aeiii-066b_c1_c17_diketo_c3_otbdms_08-14-2024_full-hmbc', '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 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None, 'state': 'active', 'url': 'https://nmrxiv.org/D4298', 'url_type': None}], 'tags': [{'display_name': 'heteronuclear-multiple-bond-coherence', 'id': 'ff8aacdb-a2ed-4f4c-969c-554146a8a046', 'name': 'heteronuclear-multiple-bond-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': '298.1488'}, {'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': 'hmbcetgpl3nd'}, {'variableMeasured_name': 'Spectral Width', 'variableMeasured_propertyID': 'NCIT:C156496', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C156496', 'variableMeasured_value': '[12.9835658317182, 239.487911911164]'}, {'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': 'e03ea897-0bd5-491e-bef1-c819f91a39cc'}, {'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.d4327', 'id': 'nmrxiv-d4327', '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': 'heteronuclear multiple bond coherence', 'measurement_technique_iri': 'CHMO:0000601', 'metadata_created': '2025-03-22T14:44:20.715692', 'metadata_modified': '2025-04-19T13:43:39.488124', 'metadata_published': '2025-03-20 23:01:25', 'name': '11_aeiii-041e_c1_c3_c17_a_triol_08-23-2024_full-hmbc', '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.hmbc', 'type': 'dataset', 'url': 'https://nmrxiv.org/D4327', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-04-19T13:43:39.502079', 'format': 'HTML', 'hash': '', 'id': 'c6767a29-25d3-4f38-84f0-cf9c51a933be', 'last_modified': None, 'metadata_modified': '2025-04-19T13:43:39.493383', 'mimetype': None, 'mimetype_inner': None, 'name': '11_AEIII-041E_C1_C3_C17_a_triol_08.23.2024_FULL.hmbc', 'package_id': 'nmrxiv-d4327', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://nmrxiv.org/D4327', 'url_type': None}], 'tags': [{'display_name': 'heteronuclear-multiple-bond-coherence', 'id': 'ff8aacdb-a2ed-4f4c-969c-554146a8a046', 'name': 'heteronuclear-multiple-bond-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': '298.1502'}, {'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': 'hmbcetgpl3nd'}, {'variableMeasured_name': 'Spectral Width', 'variableMeasured_propertyID': 'NCIT:C156496', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C156496', 'variableMeasured_value': '[12.9835658317182, 239.487911911164]'}, {'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': '65b521d3-86e0-404b-97f7-e9215630eed2'}, {'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.d4271', 'id': 'nmrxiv-d4271', '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': 'heteronuclear multiple bond coherence', 'measurement_technique_iri': 'CHMO:0000601', 'metadata_created': '2025-03-22T14:44:05.530757', 'metadata_modified': '2025-04-19T13:43:25.127821', 'metadata_published': '2025-03-20 23:01:25', 'name': 'aeii-033b_nabh4_on_1_17_diketone_3opiv_dienone_a_ring_12_15_2023_full-hmbc', '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 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'page': Page:
Collection type: <class 'list'>
(Current) page: 1
First item: 1
Last item: 20
First page: 1
Last page: 35
Previous page: None
Next page: 2
Items per page: 20
Number of items: 697
Number of pages: 35
} |
