| session |
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'variableMeasured_value': ''}, {'variableMeasured_name': 'irradiation frequency', 'variableMeasured_propertyID': 'NMR:1400026', 'variableMeasured_value': ''}, {'variableMeasured_name': 'magnetic field strength', 'variableMeasured_propertyID': 'MR:1400253', 'variableMeasured_value': ''}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': ''}, {'variableMeasured_name': 'nuclear magnetic resonance pulse sequence', 'variableMeasured_propertyID': 'CHMO:0001841', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/CHMO_0001841', 'variableMeasured_value': 'zgpg30'}, {'variableMeasured_name': 'Spectral Width', 'variableMeasured_propertyID': 'NCIT:C156496', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C156496', 'variableMeasured_value': ''}, {'variableMeasured_name': 'number of data points', 'variableMeasured_propertyID': 'NMR:1000176', 'variableMeasured_value': '65536'}, {'variableMeasured_name': 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'maintainer_email': None, 'measurement_technique': '13C nuclear magnetic resonance spectroscopy', 'measurement_technique_iri': 'CHMO:0000595', 'metadata_created': '2025-06-21T13:43:32.649507', 'metadata_modified': '2025-06-21T13:43:32.649513', 'metadata_published': '2025-05-30 12:26:38', 'name': '22d22d-c-jdx', 'notes': 'This dataset contains NMR spectra obtained for the sample -22d date: 2023/01/11 10:17:49.000 isFt: true name: 22d-C type: NMR SPECTRUM isFid: false lastX: -520.7643757337003 title: LJC-114-5-A.2.fid firstX: 30729.2356242663 nucleus: 13C solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zgpg30 numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 125.782939 acquisitionScheme: undefined date: 2023/01/11 10:05:59.000 isFt: true name: 22d-H type: NMR SPECTRUM isFid: false lastX: -767.575007509668 title: LJC-114-5-A.1.fid firstX: 8246.848069413432 nucleus: 1H solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zg30 numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 500.173751275 acquisitionScheme: undefined', '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': 'IC1=CC=C(C2CC(C3=CC=CC=C3)OC3=CC=CC=C32)C=C1', 'state': 'active', 'title': '22d[22d-C.jdx]', 'type': 'dataset', 'url': '//nmrxiv.org/D5188', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-06-21T13:43:32.654514', 'format': 'HTML', 'hash': '', 'id': 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'NMR probe', 'variableMeasured_propertyID': 'OBI:0000516', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/OBI_0000516', 'variableMeasured_value': ''}, {'variableMeasured_name': 'Temperature', 'variableMeasured_propertyID': 'NCIT:C25206', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C25206', 'variableMeasured_value': ''}, {'variableMeasured_name': 'irradiation frequency', 'variableMeasured_propertyID': 'NMR:1400026', 'variableMeasured_value': ''}, {'variableMeasured_name': 'magnetic field strength', 'variableMeasured_propertyID': 'MR:1400253', 'variableMeasured_value': ''}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': ''}, {'variableMeasured_name': 'nuclear magnetic resonance pulse sequence', 'variableMeasured_propertyID': 'CHMO:0001841', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/CHMO_0001841', 'variableMeasured_value': 'zgpg30'}, {'variableMeasured_name': 'Spectral Width', 'variableMeasured_propertyID': 'NCIT:C156496', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C156496', 'variableMeasured_value': ''}, {'variableMeasured_name': 'number of data points', 'variableMeasured_propertyID': 'NMR:1000176', 'variableMeasured_value': '65536'}, {'variableMeasured_name': 'relaxation time measurement', 'variableMeasured_propertyID': 'FIX:0000202', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/FIX_0000202', 'variableMeasured_value': ''}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': '99c0cbfe-658c-428a-be88-4a4a67560e3e'}, {'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.p116.s1211.d5207', 'id': 'nmrxiv-d5207', 'inchi': 'InChI=1S/C24H19NO/c1-2-7-17(8-3-1)24-16-21(20-10-4-5-11-23(20)26-24)18-12-13-22-19(15-18)9-6-14-25-22/h1-15,21,24H,16H2', 'inchi_key': 'YBNRWMHGVFZGSH-UHFFFAOYSA-N', 'isopen': False, 'language': 'english', 'license_id': 'CC BY 4.0 Deed', 'license_title': 'Attribution 4.0 International', 'license_url': 'https://creativecommons.org/licenses/by/4.0/legalcode', 'maintainer_email': None, 'measurement_technique': '13C nuclear magnetic resonance spectroscopy', 'measurement_technique_iri': 'CHMO:0000595', 'metadata_created': '2025-06-21T13:43:20.897801', 'metadata_modified': '2025-06-21T13:43:20.897807', 'metadata_published': '2025-05-30 12:26:38', 'name': '32d32d-c-jdx', 'notes': 'This dataset contains NMR spectra obtained for the sample -32d date: 2023/01/10 16:55:06.000 isFt: true name: 32d-C type: NMR SPECTRUM isFid: false lastX: -516.8407272409199 title: LJC-112-4-D.2.fid firstX: 30733.15927275908 nucleus: 13C solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zgpg30 numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 125.782939 acquisitionScheme: undefined date: 2023/01/10 16:43:32.000 isFt: true name: 32d-H type: NMR SPECTRUM isFid: false lastX: -767.575007509668 title: LJC-112-4-D.1.fid firstX: 8246.848069413432 nucleus: 1H solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zg30 numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 500.173751275 acquisitionScheme: undefined', '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': 'C1=CC=C(C2CC(C3=CC4=C(C=C3)N=CC=C4)C3=CC=CC=C3O2)C=C1', 'state': 'active', 'title': '32d[32d-C.jdx]', 'type': 'dataset', 'url': '//nmrxiv.org/D5207', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-06-21T13:43:20.904880', 'format': 'HTML', 'hash': '', 'id': '2ed9a4cb-4055-4a71-ac6f-f87ced040936', 'last_modified': None, 'metadata_modified': '2025-06-21T13:43:20.893306', 'mimetype': None, 'mimetype_inner': None, 'name': '32d[32d-C.jdx]', 'package_id': 'nmrxiv-d5207', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'http://nmrxiv.org/D5207', 'url_type': None}], 'tags': [{'display_name': '13c-nuclear-magnetic-resonance-spectroscopy', 'id': 'a0712442-6363-4073-b319-95b4215e0d06', 'name': '13c-nuclear-magnetic-resonance-spectroscopy', 'state': 'active', 'vocabulary_id': None}], 'variableMeasured': [{'variableMeasured_name': 'NMR solvent', 'variableMeasured_propertyID': 'NMR:1000330', 'variableMeasured_value': 'CDCl3'}, {'variableMeasured_name': 'acquisition nucleus', 'variableMeasured_propertyID': 'NMR:1400083', 'variableMeasured_value': "['13C']"}, {'variableMeasured_name': 'NMR spectrum by dimensionality', 'variableMeasured_propertyID': 'NMR:1000117', 'variableMeasured_value': '1'}, {'variableMeasured_name': 'NMR probe', 'variableMeasured_propertyID': 'OBI:0000516', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/OBI_0000516', 'variableMeasured_value': ''}, {'variableMeasured_name': 'Temperature', 'variableMeasured_propertyID': 'NCIT:C25206', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C25206', 'variableMeasured_value': ''}, {'variableMeasured_name': 'irradiation frequency', 'variableMeasured_propertyID': 'NMR:1400026', 'variableMeasured_value': ''}, {'variableMeasured_name': 'magnetic field strength', 'variableMeasured_propertyID': 'MR:1400253', 'variableMeasured_value': ''}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': ''}, {'variableMeasured_name': 'nuclear magnetic resonance pulse sequence', 'variableMeasured_propertyID': 'CHMO:0001841', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/CHMO_0001841', 'variableMeasured_value': 'zgpg30'}, {'variableMeasured_name': 'Spectral Width', 'variableMeasured_propertyID': 'NCIT:C156496', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C156496', 'variableMeasured_value': ''}, {'variableMeasured_name': 'number of data points', 'variableMeasured_propertyID': 'NMR:1000176', 'variableMeasured_value': '65536'}, {'variableMeasured_name': 'relaxation time measurement', 'variableMeasured_propertyID': 'FIX:0000202', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/FIX_0000202', 'variableMeasured_value': ''}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': '0d569c9e-aefb-42f1-9868-e5aa9bcebd04'}, {'key': 'harvest_source_id', 'value': '289ee33f-3b9e-4677-b96f-56659c421105'}, {'key': 'harvest_source_title', 'value': 'nmrXiv Harvester'}]}, {'author': 'Giovanni Andrea Vitale, Shu-Ning Xia, Kai Dührkop, Mohammad Reza Zare Shahneh, Heike Broetz-Oesterhelt, Yvonne Mast, Corinna Brungs, Sebastian Böcker, Robin Schmid, Mingxun Wang, Chambers C. Hughes, Daniel Petras', 'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'doi': '10.57992/nmrxiv.p114.s1168.d5108', 'id': 'nmrxiv-d5108', 'inchi': 'InChI=1S/C43H63N3O15/c1-25(16-12-9-10-13-17-28-21-44-24-58-28)36(51)41(4,5)39(53)45-19-15-11-14-18-29(59-38-35(50)34(49)33(48)30(22-47)60-38)26(2)20-31(57-8)43(55)27(3)37(52)46(6)42(43)32(23-56-7)61-40(42)54/h9-16,18,21,24,26-27,29-36,38,47-51,55H,17,19-20,22-23H2,1-8H3,(H,45,53)/b12-9-,13-10+,15-11+,18-14+,25-16-', 'inchi_key': 'DIUFWVQNXZDGBK-NADVQYBBSA-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': '13C nuclear magnetic resonance spectroscopy', 'measurement_technique_iri': 'CHMO:0000595', 'metadata_created': '2025-05-24T13:43:41.147352', 'metadata_modified': '2025-05-24T13:43:41.147357', 'metadata_published': '2025-05-19 20:33:17', 'name': '7glyosyloxazolomycind11', 'notes': 'This dataset contains NMR spectra obtained for the sample -7glyosyloxazolomycinD date: 2024-05-28T06:09:54.000Z isFt: true name: 7glyosyloxazolomycinD/10 phc0: -9.570359 phc1: 31.6598 type: NMR Spectrum DECIM: 1418.66666666667 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 1H reverse: false solvent: DMSO dimension: 1 increment: null isComplex: true probeName: Z135421_0007 (CPP TCI 700S3 H&F-C/N-D-05 Z) experiment: 1d groupDelay: 67.9896545410156 temperature: 297.9995 spectrumSize: 65536 baseFrequency: 700.206 fieldStrength: 16.44545483609922 numberOfScans: 64 pulseSequence: zg30 spectralWidth: 20.1335854132601 numberOfPoints: 1 relaxationTime: 1 acquisitionTime: 0 frequencyOffset: 4323.772000020654 originFrequency: 700.210323772 pulseStrength90: 31250 experimentNumber: 10 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-05-28T07:20:19.000Z isFt: true name: 7glyosyloxazolomycinD/11 phc0: 7.76294 phc1: -5.714125 type: NMR Spectrum DECIM: 469.333333333333 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 13C reverse: false solvent: DMSO dimension: 1 increment: null isComplex: true probeName: Z135421_0007 (CPP TCI 700S3 H&F-C/N-D-05 Z) experiment: 1d groupDelay: 67.9932556152344 temperature: 298.0015 spectrumSize: 131072 baseFrequency: 176.066938741 fieldStrength: 16.441951656284715 numberOfScans: 768 pulseSequence: udeft spectralWidth: 242.006680701927 numberOfPoints: 1 relaxationTime: 4 acquisitionTime: 0 frequencyOffset: 17606.69399999415 originFrequency: 176.084545435 pulseStrength90: 20833.333333333332 experimentNumber: 11 acquisitionScheme: undefined linearPredictionBin: 262144 lpNumberOfCoefficients: 4096 windowMultiplicationMode: 1 date: 2024-05-28T07:21:50.000Z isFt: true name: 7glyosyloxazolomycinD/12 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 2240 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: DMSO dimension: 2 increment: null isComplex: false probeName: Z135421_0007 (CPP TCI 700S3 H&F-C/N-D-05 Z) experiment: cosy groupDelay: 67.9842224121094 temperature: 298.0015 spectrumSize: 1024,1024 baseFrequency: 700.206,700.206 fieldStrength: 16.44545483609922 numberOfScans: 2 pulseSequence: cosygpppqf spectralWidth: 12.7513057253185,12.7513057253185 numberOfPoints: 1 relaxationTime: 1.997952 acquisitionTime: 0 frequencyOffset: 2403.821985012655,2403.821985012655 originFrequency: 700.208403821985,700.208403821985 pulseStrength90: 31250 experimentNumber: 12 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,512 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2024-05-28T07:42:51.000Z isFt: false name: 7glyosyloxazolomycinD/13 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 1792 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: DMSO dimension: 2 increment: null isComplex: true probeName: Z135421_0007 (CPP TCI 700S3 H&F-C/N-D-05 Z) experiment: hsqc groupDelay: 67.9841766357422 temperature: 297.9997 spectrumSize: 1024,1024 baseFrequency: 700.206,176.066938741 digitalFilter: 67.9841766357422 fieldStrength: 16.44545483609922 numberOfScans: 4 pulseSequence: hsqcedetgpsisp2.3 spectralWidth: 15.9391119621992,165.093955631663 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 3290.967999987515,13205.021000004535 originFrequency: 700.209290968,176.080143762 pulseStrength90: 31250 experimentNumber: 13 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 4,4 date: 2024-05-28T08:20:45.000Z isFt: true name: 7glyosyloxazolomycinD/14 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 2240 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: DMSO dimension: 2 increment: null isComplex: false probeName: Z135421_0007 (CPP TCI 700S3 H&F-C/N-D-05 Z) experiment: hmbc groupDelay: 67.9842224121094 temperature: 297.9996 spectrumSize: 2048,1024 baseFrequency: 700.206,176.066938741 fieldStrength: 16.44545483609922 numberOfScans: 8 pulseSequence: hmbcgplpndqf spectralWidth: 12.7513057253185,220.11977159454 numberOfPoints: 1 relaxationTime: 1.497952 acquisitionTime: 0 frequencyOffset: 2403.821985012655,17606.69399999415 originFrequency: 700.208403821985,176.084545435 pulseStrength90: 31250 experimentNumber: 14 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,512 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,3 date: 2024-05-28T09:20:06.000Z isFt: true name: 7glyosyloxazolomycinD/15 phc0: -11.94801,90 phc1: 38.67323,-180 type: NMR Spectrum DECIM: 2240 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: DMSO dimension: 2 increment: null isComplex: false probeName: Z135421_0007 (CPP TCI 700S3 H&F-C/N-D-05 Z) experiment: noesy groupDelay: 67.9842224121094 temperature: 297.9984 spectrumSize: 1024,1024 baseFrequency: 700.206,700.206 fieldStrength: 16.44545483609922 numberOfScans: 4 pulseSequence: noesygpphpp spectralWidth: 12.7513057253185,12.7513057253185 numberOfPoints: 1 relaxationTime: 2.031539 acquisitionTime: 0 frequencyOffset: 2403.821985012655,2403.821985012655 originFrequency: 700.208403821985,700.208403821985 pulseStrength90: 31250 experimentNumber: 15 acquisitionScheme: States-TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '14e443f8-70e7-497d-9785-3727d79901ab', 'name': 'nmrxiv', 'title': 'nmrXiv', 'type': 'repository', 'description': 'The Open, FAIR and Consensus-Driven NMR spectroscopy data repository and analysis platform.', 'image_url': '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': 'COCC1OC(=O)C12N(C)C(=O)C(C)C2(O)C(CC(C)C(/C=C/C=C/CNC(=O)C(C)(C)C(O)/C(C)=C\\C=C/C=C/CC1=CN=CO1)OC1OC(CO)C(O)C(O)C1O)OC', 'state': 'active', 'title': '7glyosyloxazolomycinD[11]', 'type': 'dataset', 'url': '//nmrxiv.org/D5108', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-05-24T13:43:41.156592', 'format': 'HTML', 'hash': '', 'id': '04e98578-535e-4664-9abf-d53ef8ac2bbe', 'last_modified': None, 'metadata_modified': '2025-05-24T13:43:41.142782', 'mimetype': None, 'mimetype_inner': None, 'name': '7glyosyloxazolomycinD[11]', 'package_id': 'nmrxiv-d5108', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'http://nmrxiv.org/D5108', 'url_type': None}], 'tags': [{'display_name': '13c-nuclear-magnetic-resonance-spectroscopy', 'id': 'a0712442-6363-4073-b319-95b4215e0d06', 'name': '13c-nuclear-magnetic-resonance-spectroscopy', 'state': 'active', 'vocabulary_id': None}], 'variableMeasured': [{'variableMeasured_name': 'NMR solvent', 'variableMeasured_propertyID': 'NMR:1000330', 'variableMeasured_value': 'DMSO'}, {'variableMeasured_name': 'acquisition nucleus', 'variableMeasured_propertyID': 'NMR:1400083', 'variableMeasured_value': "['13C']"}, {'variableMeasured_name': 'NMR spectrum by dimensionality', 'variableMeasured_propertyID': 'NMR:1000117', 'variableMeasured_value': '1'}, {'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': '298.0015'}, {'variableMeasured_name': 'irradiation frequency', 'variableMeasured_propertyID': 'NMR:1400026', 'variableMeasured_value': '176.066938741'}, {'variableMeasured_name': 'magnetic field strength', 'variableMeasured_propertyID': 'MR:1400253', 'variableMeasured_value': '16.441951656284715'}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': '768'}, {'variableMeasured_name': 'nuclear magnetic resonance pulse sequence', 'variableMeasured_propertyID': 'CHMO:0001841', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/CHMO_0001841', 'variableMeasured_value': 'udeft'}, {'variableMeasured_name': 'Spectral Width', 'variableMeasured_propertyID': 'NCIT:C156496', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C156496', 'variableMeasured_value': '242.006680701927'}, {'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': '4'}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': '065d3d72-e2fb-4ab8-94f0-71c8d7e2ccad'}, {'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.d5102', 'id': 'nmrxiv-d5102', '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': '13C nuclear magnetic resonance spectroscopy', 'measurement_technique_iri': 'CHMO:0000595', 'metadata_created': '2025-05-17T13:43:25.120679', 'metadata_modified': '2025-05-24T13:43:33.834602', 'metadata_published': '2025-05-15 13:02:47', 'name': 'kasichelina11', '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': 'kasichelinA[11]', 'type': 'dataset', 'url': '//nmrxiv.org/D5102', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-05-24T13:43:33.849957', 'format': 'HTML', 'hash': '', 'id': 'a1537d48-23b1-479b-a0c8-df33c7519956', 'last_modified': None, 'metadata_modified': '2025-05-24T13:43:33.840539', 'mimetype': None, 'mimetype_inner': None, 'name': 'kasichelinA[11]', 'package_id': 'nmrxiv-d5102', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'http://nmrxiv.org/D5102', 'url_type': None}], 'tags': [{'display_name': '13c-nuclear-magnetic-resonance-spectroscopy', 'id': 'a0712442-6363-4073-b319-95b4215e0d06', 'name': '13c-nuclear-magnetic-resonance-spectroscopy', 'state': 'active', 'vocabulary_id': None}], 'variableMeasured': [{'variableMeasured_name': 'NMR solvent', 'variableMeasured_propertyID': 'NMR:1000330', 'variableMeasured_value': 'MeOD'}, {'variableMeasured_name': 'acquisition nucleus', 'variableMeasured_propertyID': 'NMR:1400083', 'variableMeasured_value': "['13C']"}, {'variableMeasured_name': 'NMR spectrum by dimensionality', 'variableMeasured_propertyID': 'NMR:1000117', 'variableMeasured_value': '1'}, {'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': '297.9994'}, {'variableMeasured_name': 'irradiation frequency', 'variableMeasured_propertyID': 'NMR:1400026', 'variableMeasured_value': '176.088060558'}, {'variableMeasured_name': 'magnetic field strength', 'variableMeasured_propertyID': 'MR:1400253', 'variableMeasured_value': '16.44392411003719'}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': '2560'}, {'variableMeasured_name': 'nuclear magnetic resonance pulse sequence', 'variableMeasured_propertyID': 'CHMO:0001841', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/CHMO_0001841', 'variableMeasured_value': 'udeft'}, {'variableMeasured_name': 'Spectral Width', 'variableMeasured_propertyID': 'NCIT:C156496', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C156496', 'variableMeasured_value': '241.97765192609'}, {'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': '4'}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': '86ca5e8a-6606-4e2f-bc92-a8399150ee85'}, {'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.d4267', 'id': 'nmrxiv-d4267', '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': '13C nuclear magnetic resonance spectroscopy', 'measurement_technique_iri': 'CHMO:0000595', 'metadata_created': '2025-03-22T14:45:13.118700', 'metadata_modified': '2025-04-19T13:44:25.188833', 'metadata_published': '2025-03-20 23:01:25', 'name': 'aeii-033b_nabh4_on_1_17_diketone_3opiv_dienone_a_ring_12_15_2023_full-1d1', 'notes': 'This dataset contains NMR spectra obtained for the sample -AEII-033B_NaBH4_on_1_17_diketone_3OPiv_dienone_A_ring_12_15_2023_FULL date: 2023-12-15T23:28:30.000Z isFt: true name: AEII-033B_NaBH4_on_1_17_diketone_3OPiv_dienone_A_ring_12_15_2023_FULL/1 phc0: 4.280609 phc1: 31.12811 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 4.998669471131275 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298.1497 spectrumSize: 65536 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 8 pulseSequence: zg30 spectralWidth: 19.9946778845251 numberOfPoints: 5 relaxationTime: 1 acquisitionTime: 0.00020000000000017524 frequencyOffset: 3088.3019999805583 originFrequency: 500.133088302 pulseStrength90: 24703.557312252968 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2023-12-16T03:24:39.000Z isFt: true name: AEII-033B_NaBH4_on_1_17_diketone_3OPiv_dienone_A_ring_12_15_2023_FULL/2 phc0: -50.42865 phc1: -59.76928 type: NMR Spectrum DECIM: 634.666666666667 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 21 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 9.636795421118268 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 76 temperature: 298.1504 spectrumSize: 131072 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 256 pulseSequence: udeft spectralWidth: 250.556680949075 numberOfPoints: 27 relaxationTime: 4 acquisitionTime: 0.0004125333333333332 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 15625 experimentNumber: 2 linearPredictionBin: 262144 lpNumberOfCoefficients: 4096 windowMultiplicationMode: 1 date: 2023-12-16T03:31:47.000Z isFt: true name: AEII-033B_NaBH4_on_1_17_diketone_3OPiv_dienone_A_ring_12_15_2023_FULL/3 phc0: 5.238708 phc1: 261.0771 type: NMR Spectrum DECIM: 672 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 59.159216335354 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: dept groupDelay: 67.9838256835938 temperature: 298.1494 spectrumSize: 32768 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 128 pulseSequence: deptsp90 spectralWidth: 236.636865341416 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00006719999999982307 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 15625 experimentNumber: 3 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2023-12-16T03:39:51.000Z isFt: true name: AEII-033B_NaBH4_on_1_17_diketone_3OPiv_dienone_A_ring_12_15_2023_FULL/4 phc0: 33.82634 phc1: 193.4544 type: NMR Spectrum DECIM: 992 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 40.07639961064025 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: dept groupDelay: 67.9840087890625 temperature: 298.1527 spectrumSize: 32768 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 128 pulseSequence: deptsp135 spectralWidth: 160.305598442561 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00009920000000037773 frequencyOffset: 10060.621999997466 originFrequency: 125.767849148 pulseStrength90: 15625 experimentNumber: 4 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2023-12-16T03:54:31.000Z isFt: true name: AEII-033B_NaBH4_on_1_17_diketone_3OPiv_dienone_A_ring_12_15_2023_FULL/5 phc0: -159.3368,3.253899 phc1: -12.14621,0 type: NMR Spectrum DECIM: 3080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 21 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 3.2458940546305 isComplex: false probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hsqc groupDelay: 76 temperature: 298.1497 spectrumSize: 2048,2048 baseFrequency: 500.13,125.757788526 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: hsqcedetgpsisp2.3 spectralWidth: 12.983576218522,164.962602395549 numberOfPoints: 5 relaxationTime: 1.5 acquisitionTime: 0.00030800000000000033 frequencyOffset: 2350.610999997116,9431.835000000887 originFrequency: 500.132350611,125.767220361 pulseStrength90: 24703.557312252968 experimentNumber: 5 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 4,4 date: 2023-12-16T04:15:24.000Z isFt: true name: AEII-033B_NaBH4_on_1_17_diketone_3OPiv_dienone_A_ring_12_15_2023_FULL/6 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 3080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 3.24589145792955 isComplex: false probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hmbc groupDelay: 67.985595703125 temperature: 298.1492 spectrumSize: 2048,1024 baseFrequency: 500.13,125.757788526 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: hmbcetgpl3nd spectralWidth: 12.9835658317182,239.487911911164 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.0003079999999999992 frequencyOffset: 2750.714999990578,12575.779000002285 originFrequency: 500.132750715,125.770364305 pulseStrength90: 24703.557312252968 experimentNumber: 6 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,4 date: 2023-12-16T04:25:12.000Z isFt: true name: AEII-033B_NaBH4_on_1_17_diketone_3OPiv_dienone_A_ring_12_15_2023_FULL/7 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 3080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 3.24588983499355 isComplex: false probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: cosy groupDelay: 67.985595703125 temperature: 298.1496 spectrumSize: 1024,1024 baseFrequency: 500.13,500.13 fieldStrength: 11.746350827011339 numberOfScans: 8 pulseSequence: cosygpppqf spectralWidth: 12.9835593399742,12.9835593399742 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00030800000000000006 frequencyOffset: 3000.779999979386,3000.779999979386 originFrequency: 500.13300078,500.13300078 pulseStrength90: 24703.557312252968 experimentNumber: 7 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2023-12-16T05:09:18.000Z isFt: true name: AEII-033B_NaBH4_on_1_17_diketone_3OPiv_dienone_A_ring_12_15_2023_FULL/8 phc0: -44.21659,267.9648 phc1: 30.88338,-180 type: NMR Spectrum DECIM: 4000 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 4.998676844130975 isComplex: false probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: noesy groupDelay: 67.9842834472656 temperature: 298.1491 spectrumSize: 1024,1024 baseFrequency: 500.13,500.13 fieldStrength: 11.746350827011339 numberOfScans: 8 pulseSequence: noesygpphpp spectralWidth: 9.99735368826195,9.99735368826195 numberOfPoints: 3 relaxationTime: 2 acquisitionTime: 0.00020000000000000004 frequencyOffset: 2350.610999997116,2350.610999997116 originFrequency: 500.132350611,500.132350611 pulseStrength90: 24703.557312252968 experimentNumber: 8 acquisitionScheme: States-TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '14e443f8-70e7-497d-9785-3727d79901ab', 'name': 'nmrxiv', 'title': 'nmrXiv', 'type': 'repository', 'description': 'The Open, FAIR and Consensus-Driven NMR spectroscopy data repository and analysis platform.', 'image_url': 'nmrXiv_logo.svg', 'created': '2024-04-22T15:05:05.930653', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '14e443f8-70e7-497d-9785-3727d79901ab', 'private': False, 'related_molecule': '[]', 'smiles': 'C[C@]12C(=O)C=CC=C1CCC1C2CC[C@@]2(C)C1CC[C@@H]2O', 'state': 'active', 'title': 'AEII-033B_NaBH4_on_1_17_diketone_3OPiv_dienone_A_ring_12_15_2023_FULL.1d', 'type': 'dataset', 'url': 'https://nmrxiv.org/D4267', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-04-19T13:44:25.205253', 'format': 'HTML', 'hash': '', 'id': 'f5949ca0-9681-41c2-bfb5-25f543b982eb', 'last_modified': None, 'metadata_modified': '2025-04-19T13:44:25.194756', 'mimetype': None, 'mimetype_inner': None, 'name': 'AEII-033B_NaBH4_on_1_17_diketone_3OPiv_dienone_A_ring_12_15_2023_FULL.1d', 'package_id': 'nmrxiv-d4267', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://nmrxiv.org/D4267', 'url_type': None}], 'tags': [{'display_name': '13c-nuclear-magnetic-resonance-spectroscopy', 'id': 'a0712442-6363-4073-b319-95b4215e0d06', 'name': '13c-nuclear-magnetic-resonance-spectroscopy', 'state': 'active', 'vocabulary_id': None}], 'variableMeasured': [{'variableMeasured_name': 'NMR solvent', 'variableMeasured_propertyID': 'NMR:1000330', 'variableMeasured_value': 'CDCl3'}, {'variableMeasured_name': 'acquisition nucleus', 'variableMeasured_propertyID': 'NMR:1400083', 'variableMeasured_value': "['13C']"}, {'variableMeasured_name': 'NMR spectrum by dimensionality', 'variableMeasured_propertyID': 'NMR:1000117', 'variableMeasured_value': '1'}, {'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': '125.757788526'}, {'variableMeasured_name': 'magnetic field strength', 'variableMeasured_propertyID': 'MR:1400253', 'variableMeasured_value': '11.743848641495527'}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': '256'}, {'variableMeasured_name': 'nuclear magnetic resonance pulse sequence', 'variableMeasured_propertyID': 'CHMO:0001841', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/CHMO_0001841', 'variableMeasured_value': 'udeft'}, {'variableMeasured_name': 'Spectral Width', 'variableMeasured_propertyID': 'NCIT:C156496', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C156496', 'variableMeasured_value': '250.556680949075'}, {'variableMeasured_name': 'number of data points', 'variableMeasured_propertyID': 'NMR:1000176', 'variableMeasured_value': '27'}, {'variableMeasured_name': 'relaxation time measurement', 'variableMeasured_propertyID': 'FIX:0000202', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/FIX_0000202', 'variableMeasured_value': '4'}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': '38407bb7-35c0-41d6-ab80-f3fd2f116c8c'}, {'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.d4344', 'id': 'nmrxiv-d4344', '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': '13C nuclear magnetic resonance spectroscopy', 'measurement_technique_iri': 'CHMO:0000595', 'metadata_created': '2025-03-22T14:43:18.790263', 'metadata_modified': '2025-03-22T14:43:18.790268', 'metadata_published': '2025-03-20 23:01:25', 'name': 'aeiv-086b_c1_c17_b_diol_c3_otbdms_deuterated_03-05-2025_full-1d', '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.1d', 'type': 'dataset', 'url': 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frequencyOffset: 3607.619024023734,3607.619024023734 originFrequency: 600.053607619024,600.053607619024 pulseStrength90: 25000 experimentNumber: 0 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,3 date: 2021-10-03T09:12:33.000Z isFt: true name: actinoquinonal_A_NMR_Data/0 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 16 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TOPSPIN\t\tVersion 2.1 DSPFVS: 12 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.41729699776872503 isComplex: false probeName: 5 mm TXI D/1H-13C/15N XYZ-GRD Z8323/141 experiment: hmbc groupDelay: -1 temperature: 298 spectrumSize: 2048,1024 baseFrequency: 600.05,150.882693 fieldStrength: 14.093131413328843 numberOfScans: 256 pulseSequence: hmbcgplpndqf spectralWidth: 20.0302558928988,222.095059442626 numberOfPoints: 49 relaxationTime: 1.5 acquisitionTime: 0.0019968000000000013 frequencyOffset: 3780.3160000748903,16597.096230015042 originFrequency: 600.053780316,150.89929009623 pulseStrength90: 25000 experimentNumber: 0 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,3 date: 2021-10-02T18:55:08.000Z isFt: true name: actinoquinonal_A_NMR_Data/0 phc0: -65.8161,0 phc1: 0,0 type: NMR Spectrum DECIM: 16 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TOPSPIN\t\tVersion 2.1 DSPFVS: 12 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 5.007565475493225 isComplex: false probeName: 5 mm TXI D/1H-13C/15N XYZ-GRD Z8323/141 experiment: hsqc groupDelay: -1 temperature: 298 spectrumSize: 1024,1024 baseFrequency: 600.05,150.882693 fieldStrength: 14.093131413328843 numberOfScans: 128 pulseSequence: hsqcetgpsi2 spectralWidth: 20.0302619019729,220 numberOfPoints: 5 relaxationTime: 1.5 acquisitionTime: 0.00016640000000000006 frequencyOffset: 3600.300000016432,16597.096230015042 originFrequency: 600.0536003,150.89929009623 pulseStrength90: 25000 experimentNumber: 0 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,512 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2021-12-23T09:41:36.000Z isFt: true name: actinoquinonal_A_NMR_Data/0 phc0: -162.15,90 phc1: 0,-180 type: NMR Spectrum DECIM: 16 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TOPSPIN\t\tVersion 2.1 DSPFVS: 12 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 4.00605238039458 isComplex: false probeName: 5 mm TXI D/1H-13C/15N XYZ-GRD Z8323/141 experiment: noesy groupDelay: -1 temperature: 298 spectrumSize: 1024,1024 baseFrequency: 600.05,600.05 fieldStrength: 14.093131413328843 numberOfScans: 64 pulseSequence: noesyphpp spectralWidth: 20.0302619019729,20 numberOfPoints: 6 relaxationTime: 2 acquisitionTime: 0.0002080000000000001 frequencyOffset: 3600.300000016432,3600.300000016432 originFrequency: 600.0536003,600.0536003 pulseStrength90: 25000 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'maintainer_email': None, 'measurement_technique': '13C nuclear magnetic resonance spectroscopy', 'measurement_technique_iri': 'CHMO:0000595', 'metadata_created': '2024-04-22T15:25:39.393510', 'metadata_modified': '2025-02-05T14:30:11.302667', 'metadata_published': '2023-11-23 22:29:51', 'name': 'propyl-butyl-pre-final-1d1', 'notes': 'This dataset contains NMR spectra obtained for the sample -Propyl Butyl Pre-Final</br>date: 2020-09-29T13:00:25.000Z</br>isFt: false</br>name: Propyl Butyl Pre-Final/1</br>phc0: 232.1958</br>phc1: 1.907955</br>type: NMR FID</br>DECIM: 24</br>aqMod: 3</br>isFid: true</br>tdOff: 0</br>title: Parameter file, TopSpin 3.6.1</br>DSPFVS: 12</br>nucleus: 1H</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.00006240000000000019</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003</br>experiment: 1d</br>groupDelay: -1</br>temperature: 298.2</br>spectrumSize: 32768</br>baseFrequency: 500.13</br>digitalFilter: 70.16666666666667</br>fieldStrength: 11.746350827011339</br>numberOfScans: 8</br>pulseSequence: zg30</br>spectralWidth: 16.0213765034678</br>numberOfPoints: 35</br>relaxationTime: 1</br>acquisitionTime: 0.0021216000000000065</br>frequencyOffset: 3088.5074780258037</br>originFrequency: 500.133088507478</br>pulseStrength90: 26315.78947368421</br>experimentNumber: 1</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-09-29T13:00:25.000Z</br>isFt: true</br>name: Propyl Butyl Pre-Final/1</br>phc0: 232.1958</br>phc1: 1.907955</br>type: NMR Spectrum</br>DECIM: 24</br>aqMod: 3</br>isFid: false</br>tdOff: 0</br>title: Parameter file, TopSpin 3.6.1</br>DSPFVS: 12</br>nucleus: 1H</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.47121695598434704</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003</br>experiment: 1d</br>groupDelay: -1</br>temperature: 298.2</br>spectrumSize: 32768</br>baseFrequency: 500.13</br>fieldStrength: 11.746350827011339</br>numberOfScans: 8</br>pulseSequence: zg30</br>spectralWidth: 16.0213765034678</br>numberOfPoints: 35</br>relaxationTime: 1</br>acquisitionTime: 0.0021216000000000065</br>frequencyOffset: 3088.5074780258037</br>originFrequency: 500.133088507478</br>pulseStrength90: 26315.78947368421</br>experimentNumber: 1</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-09-29T13:31:00.000Z</br>isFt: false</br>name: Propyl Butyl Pre-Final/2</br>phc0: 151.9512</br>phc1: -380.8406</br>type: NMR FID</br>DECIM: 6</br>aqMod: 1</br>isFid: true</br>tdOff: 0</br>title: Parameter file, TopSpin 3.6.1</br>DSPFVS: 10</br>nucleus: 13C</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.00001664999999999999</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003</br>experiment: 1d</br>groupDelay: -1</br>temperature: 298.2</br>spectrumSize: 32768</br>baseFrequency: 125.757789</br>digitalFilter: 59.08333333333333</br>fieldStrength: 11.743848685759856</br>numberOfScans: 512</br>pulseSequence: zgpg</br>spectralWidth: 238.768728992791</br>numberOfPoints: 11</br>relaxationTime: 2</br>acquisitionTime: 0.00016649999999999993</br>frequencyOffset: 12575.304853001511</br>originFrequency: 125.770364304853</br>pulseStrength90: 16666.666666666668</br>experimentNumber: 2</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-09-29T13:31:00.000Z</br>isFt: true</br>name: Propyl Butyl Pre-Final/2</br>phc0: 151.9512</br>phc1: -380.8406</br>type: NMR Spectrum</br>DECIM: 6</br>aqMod: 1</br>isFid: false</br>tdOff: 0</br>title: Parameter file, TopSpin 3.6.1</br>DSPFVS: 10</br>nucleus: 13C</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 23.8768728992791</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD 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'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': "['13C']"}, {'variableMeasured_name': 'NMR spectrum by dimensionality', 'variableMeasured_propertyID': 'NMR:1000117', 'variableMeasured_value': '1'}, {'variableMeasured_name': 'NMR probe', 'variableMeasured_propertyID': 'OBI:0000516', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/OBI_0000516', 'variableMeasured_value': '5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003'}, {'variableMeasured_name': 'Temperature', 'variableMeasured_propertyID': 'NCIT:C25206', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C25206', 'variableMeasured_value': '298.2'}, {'variableMeasured_name': 'irradiation frequency', 'variableMeasured_propertyID': 'NMR:1400026', 'variableMeasured_value': '125.757789'}, 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'measurement_technique': '13C nuclear magnetic resonance spectroscopy', 'measurement_technique_iri': 'CHMO:0000595', 'metadata_created': '2024-04-22T15:25:34.064453', 'metadata_modified': '2025-02-05T14:30:05.156793', 'metadata_published': '2023-11-23 22:29:51', 'name': 'hexyl-ps-1d1', 'notes': 'This dataset contains NMR spectra obtained for the sample -Hexyl PS</br>date: 2020-08-25T15:14:17.000Z</br>isFt: false</br>name: Hexyl PS/1</br>phc0: 231.8153</br>phc1: -1.128913</br>type: NMR FID</br>DECIM: 24</br>aqMod: 3</br>isFid: true</br>tdOff: 0</br>title: Parameter file, TopSpin 3.6.1</br>DSPFVS: 12</br>nucleus: 1H</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.00006240000000000018</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003</br>experiment: 1d</br>groupDelay: -1</br>temperature: 298.2</br>spectrumSize: 32768</br>baseFrequency: 500.13</br>digitalFilter: 70.16666666666667</br>fieldStrength: 11.746350827011339</br>numberOfScans: 8</br>pulseSequence: zg30</br>spectralWidth: 16.0213765034678</br>numberOfPoints: 101</br>relaxationTime: 1</br>acquisitionTime: 0.006240000000000018</br>frequencyOffset: 3088.5074780258037</br>originFrequency: 500.133088507478</br>pulseStrength90: 26315.78947368421</br>experimentNumber: 1</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-25T15:14:17.000Z</br>isFt: true</br>name: Hexyl PS/1</br>phc0: 231.8153</br>phc1: -1.128913</br>type: NMR Spectrum</br>DECIM: 24</br>aqMod: 3</br>isFid: false</br>tdOff: 0</br>title: Parameter file, TopSpin 3.6.1</br>DSPFVS: 12</br>nucleus: 1H</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.160213765034678</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003</br>experiment: 1d</br>groupDelay: -1</br>temperature: 298.2</br>spectrumSize: 32768</br>baseFrequency: 500.13</br>fieldStrength: 11.746350827011339</br>numberOfScans: 8</br>pulseSequence: zg30</br>spectralWidth: 16.0213765034678</br>numberOfPoints: 101</br>relaxationTime: 1</br>acquisitionTime: 0.006240000000000018</br>frequencyOffset: 3088.5074780258037</br>originFrequency: 500.133088507478</br>pulseStrength90: 26315.78947368421</br>experimentNumber: 1</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-25T21:31:06.000Z</br>isFt: false</br>name: Hexyl PS/10</br>phc0: 226.6152</br>phc1: -0.4487027</br>type: NMR FID</br>DECIM: 24</br>aqMod: 3</br>isFid: true</br>tdOff: 0</br>title: Parameter file, TopSpin 3.6.1</br>DSPFVS: 12</br>nucleus: 1H</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.00006240000000000018</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003</br>experiment: 1d</br>groupDelay: -1</br>temperature: 298.2</br>spectrumSize: 32768</br>baseFrequency: 500.13</br>digitalFilter: 70.16666666666667</br>fieldStrength: 11.746350827011339</br>numberOfScans: 8</br>pulseSequence: zg30</br>spectralWidth: 16.0213765034678</br>numberOfPoints: 39</br>relaxationTime: 1</br>acquisitionTime: 0.002371200000000007</br>frequencyOffset: 3088.5074780258037</br>originFrequency: 500.133088507478</br>pulseStrength90: 26315.78947368421</br>experimentNumber: 10</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-25T21:31:06.000Z</br>isFt: true</br>name: Hexyl PS/10</br>phc0: 226.6152</br>phc1: -0.4487027</br>type: NMR Spectrum</br>DECIM: 24</br>aqMod: 3</br>isFid: false</br>tdOff: 0</br>title: Parameter file, TopSpin 3.6.1</br>DSPFVS: 12</br>nucleus: 1H</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.42161517114388947</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003</br>experiment: 1d</br>groupDelay: -1</br>temperature: 298.2</br>spectrumSize: 32768</br>baseFrequency: 500.13</br>fieldStrength: 11.746350827011339</br>numberOfScans: 8</br>pulseSequence: zg30</br>spectralWidth: 16.0213765034678</br>numberOfPoints: 39</br>relaxationTime: 1</br>acquisitionTime: 0.002371200000000007</br>frequencyOffset: 3088.5074780258037</br>originFrequency: 500.133088507478</br>pulseStrength90: 26315.78947368421</br>experimentNumber: 10</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-26T18:27:56.000Z</br>isFt: false</br>name: Hexyl PS/11</br>phc0: -98.8447</br>phc1: -10.4</br>type: NMR FID</br>DECIM: 6</br>aqMod: 1</br>isFid: true</br>tdOff: 0</br>title: Parameter file, TOPSPIN\t\tVersion 1.3</br>DSPFVS: 10</br>nucleus: 13C</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.000016649999999999995</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003</br>experiment: dept</br>groupDelay: -1</br>temperature: 298.2</br>spectrumSize: 32768</br>baseFrequency: 125.757789</br>digitalFilter: 59.08333333333333</br>fieldStrength: 11.743848685759856</br>numberOfScans: 128</br>pulseSequence: dept135</br>spectralWidth: 238.768728992791</br>numberOfPoints: 65536</br>relaxationTime: 2</br>acquisitionTime: 1.0911577499999996</br>frequencyOffset: 12575.304853001511</br>originFrequency: 125.770364304853</br>pulseStrength90: 16666.666666666668</br>experimentNumber: 11</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-26T18:27:56.000Z</br>isFt: true</br>name: Hexyl PS/11</br>phc0: -98.8447</br>phc1: -10.4</br>type: NMR Spectrum</br>DECIM: 6</br>aqMod: 1</br>isFid: false</br>tdOff: 0</br>title: Parameter file, TOPSPIN\t\tVersion 1.3</br>DSPFVS: 10</br>nucleus: 13C</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.003643377263947372</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003</br>experiment: dept</br>groupDelay: -1</br>temperature: 298.2</br>spectrumSize: 32768</br>baseFrequency: 125.757789</br>fieldStrength: 11.743848685759856</br>numberOfScans: 128</br>pulseSequence: dept135</br>spectralWidth: 238.768728992791</br>numberOfPoints: 65536</br>relaxationTime: 2</br>acquisitionTime: 1.0911577499999996</br>frequencyOffset: 12575.304853001511</br>originFrequency: 125.770364304853</br>pulseStrength90: 16666.666666666668</br>experimentNumber: 11</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-26T18:20:19.000Z</br>isFt: false</br>name: Hexyl PS/12</br>phc0: -42.6475</br>phc1: -128.4</br>type: NMR FID</br>DECIM: 6</br>aqMod: 1</br>isFid: true</br>tdOff: 0</br>title: Parameter file, TopSpin 3.6.1</br>DSPFVS: 10</br>nucleus: 13C</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: null</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003</br>experiment: dept</br>groupDelay: -1</br>temperature: 298.2</br>spectrumSize: 32768</br>baseFrequency: 125.757789</br>digitalFilter: 59.08333333333333</br>fieldStrength: 11.743848685759856</br>numberOfScans: 128</br>pulseSequence: dept135</br>spectralWidth: 238.768728992791</br>numberOfPoints: 1</br>relaxationTime: 2</br>acquisitionTime: 0</br>frequencyOffset: 12575.304853001511</br>originFrequency: 125.770364304853</br>pulseStrength90: 13888.888888888889</br>experimentNumber: 12</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-26T18:20:19.000Z</br>isFt: true</br>name: Hexyl PS/12</br>phc0: -42.6475</br>phc1: -128.4</br>type: NMR Spectrum</br>DECIM: 6</br>aqMod: 1</br>isFid: false</br>tdOff: 0</br>title: Parameter file, TopSpin 3.6.1</br>DSPFVS: 10</br>nucleus: 13C</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: null</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003</br>experiment: dept</br>groupDelay: -1</br>temperature: 298.2</br>spectrumSize: 32768</br>baseFrequency: 125.757789</br>fieldStrength: 11.743848685759856</br>numberOfScans: 128</br>pulseSequence: dept135</br>spectralWidth: 238.768728992791</br>numberOfPoints: 1</br>relaxationTime: 2</br>acquisitionTime: 0</br>frequencyOffset: 12575.304853001511</br>originFrequency: 125.770364304853</br>pulseStrength90: 13888.888888888889</br>experimentNumber: 12</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-26T18:43:26.000Z</br>isFt: false</br>name: Hexyl PS/13</br>phc0: -102.7315</br>phc1: 5.7</br>type: NMR FID</br>DECIM: 6</br>aqMod: 1</br>isFid: true</br>tdOff: 0</br>title: Parameter file, TOPSPIN\t\tVersion 1.3</br>DSPFVS: 10</br>nucleus: 13C</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.000016649999999999995</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003</br>experiment: dept</br>groupDelay: -1</br>temperature: 298.2</br>spectrumSize: 32768</br>baseFrequency: 125.757789</br>digitalFilter: 59.08333333333333</br>fieldStrength: 11.743848685759856</br>numberOfScans: 128</br>pulseSequence: dept135</br>spectralWidth: 238.768728992791</br>numberOfPoints: 65536</br>relaxationTime: 2</br>acquisitionTime: 1.0911577499999996</br>frequencyOffset: 12575.304853001511</br>originFrequency: 125.770364304853</br>pulseStrength90: 17857.14285714286</br>experimentNumber: 13</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-26T18:43:26.000Z</br>isFt: true</br>name: Hexyl PS/13</br>phc0: -102.7315</br>phc1: 5.7</br>type: NMR Spectrum</br>DECIM: 6</br>aqMod: 1</br>isFid: false</br>tdOff: 0</br>title: Parameter file, TOPSPIN\t\tVersion 1.3</br>DSPFVS: 10</br>nucleus: 13C</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.003643377263947372</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003</br>experiment: dept</br>groupDelay: -1</br>temperature: 298.2</br>spectrumSize: 32768</br>baseFrequency: 125.757789</br>fieldStrength: 11.743848685759856</br>numberOfScans: 128</br>pulseSequence: dept135</br>spectralWidth: 238.768728992791</br>numberOfPoints: 65536</br>relaxationTime: 2</br>acquisitionTime: 1.0911577499999996</br>frequencyOffset: 12575.304853001511</br>originFrequency: 125.770364304853</br>pulseStrength90: 17857.14285714286</br>experimentNumber: 13</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-26T18:20:19.000Z</br>isFt: false</br>name: Hexyl PS/14</br>phc0: -42.6475</br>phc1: -128.4</br>type: NMR FID</br>DECIM: 6</br>aqMod: 1</br>isFid: true</br>tdOff: 0</br>title: Parameter file, TopSpin 3.6.1</br>DSPFVS: 10</br>nucleus: 13C</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: null</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003</br>experiment: dept</br>groupDelay: -1</br>temperature: 298.2</br>spectrumSize: 32768</br>baseFrequency: 125.757789</br>digitalFilter: 59.08333333333333</br>fieldStrength: 11.743848685759856</br>numberOfScans: 128</br>pulseSequence: dept135</br>spectralWidth: 238.768728992791</br>numberOfPoints: 1</br>relaxationTime: 2</br>acquisitionTime: 0</br>frequencyOffset: 12575.304853001511</br>originFrequency: 125.770364304853</br>pulseStrength90: 13888.888888888889</br>experimentNumber: 14</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-26T18:20:19.000Z</br>isFt: true</br>name: Hexyl PS/14</br>phc0: -42.6475</br>phc1: -128.4</br>type: NMR Spectrum</br>DECIM: 6</br>aqMod: 1</br>isFid: false</br>tdOff: 0</br>title: Parameter file, TopSpin 3.6.1</br>DSPFVS: 10</br>nucleus: 13C</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: null</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003</br>experiment: dept</br>groupDelay: -1</br>temperature: 298.2</br>spectrumSize: 32768</br>baseFrequency: 125.757789</br>fieldStrength: 11.743848685759856</br>numberOfScans: 128</br>pulseSequence: dept135</br>spectralWidth: 238.768728992791</br>numberOfPoints: 1</br>relaxationTime: 2</br>acquisitionTime: 0</br>frequencyOffset: 12575.304853001511</br>originFrequency: 125.770364304853</br>pulseStrength90: 13888.888888888889</br>experimentNumber: 14</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-26T18:43:26.000Z</br>isFt: false</br>name: Hexyl PS/15</br>phc0: -102.7315</br>phc1: 5.7</br>type: NMR FID</br>DECIM: 6</br>aqMod: 1</br>isFid: true</br>tdOff: 0</br>title: Parameter file, TOPSPIN\t\tVersion 1.3</br>DSPFVS: 10</br>nucleus: 13C</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.000016649999999999995</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003</br>experiment: dept</br>groupDelay: -1</br>temperature: 298.2</br>spectrumSize: 32768</br>baseFrequency: 125.757789</br>digitalFilter: 59.08333333333333</br>fieldStrength: 11.743848685759856</br>numberOfScans: 128</br>pulseSequence: dept135</br>spectralWidth: 238.768728992791</br>numberOfPoints: 65536</br>relaxationTime: 2</br>acquisitionTime: 1.0911577499999996</br>frequencyOffset: 12575.304853001511</br>originFrequency: 125.770364304853</br>pulseStrength90: 17857.14285714286</br>experimentNumber: 15</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-26T18:43:26.000Z</br>isFt: true</br>name: Hexyl PS/15</br>phc0: -102.7315</br>phc1: 5.7</br>type: NMR Spectrum</br>DECIM: 6</br>aqMod: 1</br>isFid: false</br>tdOff: 0</br>title: Parameter file, TOPSPIN\t\tVersion 1.3</br>DSPFVS: 10</br>nucleus: 13C</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.003643377263947372</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003</br>experiment: dept</br>groupDelay: -1</br>temperature: 298.2</br>spectrumSize: 32768</br>baseFrequency: 125.757789</br>fieldStrength: 11.743848685759856</br>numberOfScans: 128</br>pulseSequence: dept135</br>spectralWidth: 238.768728992791</br>numberOfPoints: 65536</br>relaxationTime: 2</br>acquisitionTime: 1.0911577499999996</br>frequencyOffset: 12575.304853001511</br>originFrequency: 125.770364304853</br>pulseStrength90: 17857.14285714286</br>experimentNumber: 15</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-26T18:27:56.000Z</br>isFt: false</br>name: Hexyl PS/16</br>phc0: -98.8447</br>phc1: -10.4</br>type: NMR FID</br>DECIM: 6</br>aqMod: 1</br>isFid: true</br>tdOff: 0</br>title: Parameter file, TOPSPIN\t\tVersion 1.3</br>DSPFVS: 10</br>nucleus: 13C</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.000016649999999999995</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003</br>experiment: dept</br>groupDelay: -1</br>temperature: 298.2</br>spectrumSize: 32768</br>baseFrequency: 125.757789</br>digitalFilter: 59.08333333333333</br>fieldStrength: 11.743848685759856</br>numberOfScans: 128</br>pulseSequence: dept135</br>spectralWidth: 238.768728992791</br>numberOfPoints: 65536</br>relaxationTime: 2</br>acquisitionTime: 1.0911577499999996</br>frequencyOffset: 12575.304853001511</br>originFrequency: 125.770364304853</br>pulseStrength90: 16666.666666666668</br>experimentNumber: 16</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-26T18:27:56.000Z</br>isFt: true</br>name: Hexyl PS/16</br>phc0: -98.8447</br>phc1: -10.4</br>type: NMR Spectrum</br>DECIM: 6</br>aqMod: 1</br>isFid: false</br>tdOff: 0</br>title: Parameter file, TOPSPIN\t\tVersion 1.3</br>DSPFVS: 10</br>nucleus: 13C</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.003643377263947372</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003</br>experiment: dept</br>groupDelay: -1</br>temperature: 298.2</br>spectrumSize: 32768</br>baseFrequency: 125.757789</br>fieldStrength: 11.743848685759856</br>numberOfScans: 128</br>pulseSequence: dept135</br>spectralWidth: 238.768728992791</br>numberOfPoints: 65536</br>relaxationTime: 2</br>acquisitionTime: 1.0911577499999996</br>frequencyOffset: 12575.304853001511</br>originFrequency: 125.770364304853</br>pulseStrength90: 16666.666666666668</br>experimentNumber: 16</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-25T15:53:37.000Z</br>isFt: false</br>name: Hexyl PS/2</br>phc0: 230.6184</br>phc1: 2.842811</br>type: NMR FID</br>DECIM: 24</br>aqMod: 3</br>isFid: true</br>tdOff: 0</br>title: Parameter file, TOPSPIN\t\tVersion 1.3</br>DSPFVS: 12</br>nucleus: 1H</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.00006240000000000019</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003</br>experiment: 1d</br>groupDelay: -1</br>temperature: 298.2</br>spectrumSize: 32768</br>baseFrequency: 500.13</br>digitalFilter: 70.16666666666667</br>fieldStrength: 11.746350827011339</br>numberOfScans: 512</br>pulseSequence: zg30</br>spectralWidth: 16.0213765034678</br>numberOfPoints: 32768</br>relaxationTime: 1</br>acquisitionTime: 2.044660800000006</br>frequencyOffset: 3088.5074780258037</br>originFrequency: 500.133088507478</br>pulseStrength90: 26315.78947368421</br>experimentNumber: 2</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-25T15:53:37.000Z</br>isFt: true</br>name: Hexyl PS/2</br>phc0: 230.6184</br>phc1: 2.842811</br>type: NMR Spectrum</br>DECIM: 24</br>aqMod: 3</br>isFid: false</br>tdOff: 0</br>title: Parameter file, TOPSPIN\t\tVersion 1.3</br>DSPFVS: 12</br>nucleus: 1H</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.0004889485306396007</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003</br>experiment: 1d</br>groupDelay: -1</br>temperature: 298.2</br>spectrumSize: 32768</br>baseFrequency: 500.13</br>fieldStrength: 11.746350827011339</br>numberOfScans: 512</br>pulseSequence: zg30</br>spectralWidth: 16.0213765034678</br>numberOfPoints: 32768</br>relaxationTime: 1</br>acquisitionTime: 2.044660800000006</br>frequencyOffset: 3088.5074780258037</br>originFrequency: 500.133088507478</br>pulseStrength90: 26315.78947368421</br>experimentNumber: 2</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-25T17:20:59.000Z</br>isFt: false</br>name: Hexyl PS/3</br>phc0: 145.5689</br>phc1: -367.2</br>type: NMR FID</br>DECIM: 6</br>aqMod: 1</br>isFid: true</br>tdOff: 0</br>title: Parameter file, TopSpin 3.6.1</br>DSPFVS: 10</br>nucleus: 13C</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.00001664999999999999</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003</br>experiment: 1d</br>groupDelay: -1</br>temperature: 298.2</br>spectrumSize: 32768</br>baseFrequency: 125.757789</br>digitalFilter: 59.08333333333333</br>fieldStrength: 11.743848685759856</br>numberOfScans: 512</br>pulseSequence: zgpg</br>spectralWidth: 238.768728992791</br>numberOfPoints: 2</br>relaxationTime: 2</br>acquisitionTime: 0.00001664999999999999</br>frequencyOffset: 12575.304853001511</br>originFrequency: 125.770364304853</br>pulseStrength90: 21739.130434782608</br>experimentNumber: 3</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-25T17:20:59.000Z</br>isFt: true</br>name: Hexyl PS/3</br>phc0: 145.5689</br>phc1: -367.2</br>type: NMR Spectrum</br>DECIM: 6</br>aqMod: 1</br>isFid: false</br>tdOff: 0</br>title: Parameter file, TopSpin 3.6.1</br>DSPFVS: 10</br>nucleus: 13C</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 238.768728992791</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003</br>experiment: 1d</br>groupDelay: -1</br>temperature: 298.2</br>spectrumSize: 32768</br>baseFrequency: 125.757789</br>fieldStrength: 11.743848685759856</br>numberOfScans: 512</br>pulseSequence: zgpg</br>spectralWidth: 238.768728992791</br>numberOfPoints: 2</br>relaxationTime: 2</br>acquisitionTime: 0.00001664999999999999</br>frequencyOffset: 12575.304853001511</br>originFrequency: 125.770364304853</br>pulseStrength90: 21739.130434782608</br>experimentNumber: 3</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-25T17:20:59.000Z</br>isFt: false</br>name: Hexyl PS/4</br>phc0: 145.5689</br>phc1: -367.2</br>type: NMR FID</br>DECIM: 6</br>aqMod: 1</br>isFid: true</br>tdOff: 0</br>title: Parameter file, TopSpin 3.6.1</br>DSPFVS: 10</br>nucleus: 13C</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.00001664999999999999</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003</br>experiment: 1d</br>groupDelay: -1</br>temperature: 298.2</br>spectrumSize: 32768</br>baseFrequency: 125.757789</br>digitalFilter: 59.08333333333333</br>fieldStrength: 11.743848685759856</br>numberOfScans: 512</br>pulseSequence: zgpg</br>spectralWidth: 238.768728992791</br>numberOfPoints: 2</br>relaxationTime: 2</br>acquisitionTime: 0.00001664999999999999</br>frequencyOffset: 12575.304853001511</br>originFrequency: 125.770364304853</br>pulseStrength90: 21739.130434782608</br>experimentNumber: 4</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-25T17:20:59.000Z</br>isFt: true</br>name: Hexyl PS/4</br>phc0: 145.5689</br>phc1: -367.2</br>type: NMR Spectrum</br>DECIM: 6</br>aqMod: 1</br>isFid: false</br>tdOff: 0</br>title: Parameter file, TopSpin 3.6.1</br>DSPFVS: 10</br>nucleus: 13C</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 238.768728992791</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003</br>experiment: 1d</br>groupDelay: -1</br>temperature: 298.2</br>spectrumSize: 32768</br>baseFrequency: 125.757789</br>fieldStrength: 11.743848685759856</br>numberOfScans: 512</br>pulseSequence: zgpg</br>spectralWidth: 238.768728992791</br>numberOfPoints: 2</br>relaxationTime: 2</br>acquisitionTime: 0.00001664999999999999</br>frequencyOffset: 12575.304853001511</br>originFrequency: 125.770364304853</br>pulseStrength90: 21739.130434782608</br>experimentNumber: 4</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-25T15:14:17.000Z</br>isFt: false</br>name: Hexyl PS/5</br>phc0: 231.8153</br>phc1: -1.128913</br>type: NMR FID</br>DECIM: 24</br>aqMod: 3</br>isFid: true</br>tdOff: 0</br>title: Parameter file, TopSpin 3.6.1</br>DSPFVS: 12</br>nucleus: 1H</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.00006240000000000018</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003</br>experiment: 1d</br>groupDelay: -1</br>temperature: 298.2</br>spectrumSize: 32768</br>baseFrequency: 500.13</br>digitalFilter: 70.16666666666667</br>fieldStrength: 11.746350827011339</br>numberOfScans: 8</br>pulseSequence: zg30</br>spectralWidth: 16.0213765034678</br>numberOfPoints: 101</br>relaxationTime: 1</br>acquisitionTime: 0.006240000000000018</br>frequencyOffset: 3088.5074780258037</br>originFrequency: 500.133088507478</br>pulseStrength90: 26315.78947368421</br>experimentNumber: 5</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-25T15:14:17.000Z</br>isFt: true</br>name: Hexyl PS/5</br>phc0: 231.8153</br>phc1: -1.128913</br>type: NMR Spectrum</br>DECIM: 24</br>aqMod: 3</br>isFid: false</br>tdOff: 0</br>title: Parameter file, TopSpin 3.6.1</br>DSPFVS: 12</br>nucleus: 1H</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.160213765034678</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003</br>experiment: 1d</br>groupDelay: -1</br>temperature: 298.2</br>spectrumSize: 32768</br>baseFrequency: 500.13</br>fieldStrength: 11.746350827011339</br>numberOfScans: 8</br>pulseSequence: zg30</br>spectralWidth: 16.0213765034678</br>numberOfPoints: 101</br>relaxationTime: 1</br>acquisitionTime: 0.006240000000000018</br>frequencyOffset: 3088.5074780258037</br>originFrequency: 500.133088507478</br>pulseStrength90: 26315.78947368421</br>experimentNumber: 5</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-25T15:14:17.000Z</br>isFt: false</br>name: Hexyl PS/6</br>phc0: 231.8153</br>phc1: -1.128913</br>type: NMR FID</br>DECIM: 24</br>aqMod: 3</br>isFid: true</br>tdOff: 0</br>title: Parameter file, TopSpin 3.6.1</br>DSPFVS: 12</br>nucleus: 1H</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.00006240000000000018</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003</br>experiment: 1d</br>groupDelay: -1</br>temperature: 298.2</br>spectrumSize: 32768</br>baseFrequency: 500.13</br>digitalFilter: 70.16666666666667</br>fieldStrength: 11.746350827011339</br>numberOfScans: 8</br>pulseSequence: zg30</br>spectralWidth: 16.0213765034678</br>numberOfPoints: 101</br>relaxationTime: 1</br>acquisitionTime: 0.006240000000000018</br>frequencyOffset: 3088.5074780258037</br>originFrequency: 500.133088507478</br>pulseStrength90: 26315.78947368421</br>experimentNumber: 6</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-25T15:14:17.000Z</br>isFt: true</br>name: Hexyl PS/6</br>phc0: 231.8153</br>phc1: -1.128913</br>type: NMR Spectrum</br>DECIM: 24</br>aqMod: 3</br>isFid: false</br>tdOff: 0</br>title: Parameter file, TopSpin 3.6.1</br>DSPFVS: 12</br>nucleus: 1H</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.160213765034678</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003</br>experiment: 1d</br>groupDelay: -1</br>temperature: 298.2</br>spectrumSize: 32768</br>baseFrequency: 500.13</br>fieldStrength: 11.746350827011339</br>numberOfScans: 8</br>pulseSequence: zg30</br>spectralWidth: 16.0213765034678</br>numberOfPoints: 101</br>relaxationTime: 1</br>acquisitionTime: 0.006240000000000018</br>frequencyOffset: 3088.5074780258037</br>originFrequency: 500.133088507478</br>pulseStrength90: 26315.78947368421</br>experimentNumber: 6</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-25T15:53:37.000Z</br>isFt: false</br>name: Hexyl PS/7</br>phc0: 230.6184</br>phc1: 2.842811</br>type: NMR FID</br>DECIM: 24</br>aqMod: 3</br>isFid: true</br>tdOff: 0</br>title: Parameter file, TOPSPIN\t\tVersion 1.3</br>DSPFVS: 12</br>nucleus: 1H</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.00006240000000000019</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003</br>experiment: 1d</br>groupDelay: -1</br>temperature: 298.2</br>spectrumSize: 32768</br>baseFrequency: 500.13</br>digitalFilter: 70.16666666666667</br>fieldStrength: 11.746350827011339</br>numberOfScans: 512</br>pulseSequence: zg30</br>spectralWidth: 16.0213765034678</br>numberOfPoints: 32768</br>relaxationTime: 1</br>acquisitionTime: 2.044660800000006</br>frequencyOffset: 3088.5074780258037</br>originFrequency: 500.133088507478</br>pulseStrength90: 26315.78947368421</br>experimentNumber: 7</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-25T15:53:37.000Z</br>isFt: true</br>name: Hexyl PS/7</br>phc0: 230.6184</br>phc1: 2.842811</br>type: NMR Spectrum</br>DECIM: 24</br>aqMod: 3</br>isFid: false</br>tdOff: 0</br>title: Parameter file, TOPSPIN\t\tVersion 1.3</br>DSPFVS: 12</br>nucleus: 1H</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.0004889485306396007</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003</br>experiment: 1d</br>groupDelay: -1</br>temperature: 298.2</br>spectrumSize: 32768</br>baseFrequency: 500.13</br>fieldStrength: 11.746350827011339</br>numberOfScans: 512</br>pulseSequence: zg30</br>spectralWidth: 16.0213765034678</br>numberOfPoints: 32768</br>relaxationTime: 1</br>acquisitionTime: 2.044660800000006</br>frequencyOffset: 3088.5074780258037</br>originFrequency: 500.133088507478</br>pulseStrength90: 26315.78947368421</br>experimentNumber: 7</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-25T17:20:59.000Z</br>isFt: false</br>name: Hexyl PS/8</br>phc0: 145.5689</br>phc1: -367.2</br>type: NMR FID</br>DECIM: 6</br>aqMod: 1</br>isFid: true</br>tdOff: 0</br>title: Parameter file, TopSpin 3.6.1</br>DSPFVS: 10</br>nucleus: 13C</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.00001664999999999999</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003</br>experiment: 1d</br>groupDelay: -1</br>temperature: 298.2</br>spectrumSize: 32768</br>baseFrequency: 125.757789</br>digitalFilter: 59.08333333333333</br>fieldStrength: 11.743848685759856</br>numberOfScans: 512</br>pulseSequence: zgpg</br>spectralWidth: 238.768728992791</br>numberOfPoints: 2</br>relaxationTime: 2</br>acquisitionTime: 0.00001664999999999999</br>frequencyOffset: 12575.304853001511</br>originFrequency: 125.770364304853</br>pulseStrength90: 21739.130434782608</br>experimentNumber: 8</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-25T17:20:59.000Z</br>isFt: true</br>name: Hexyl PS/8</br>phc0: 145.5689</br>phc1: -367.2</br>type: NMR Spectrum</br>DECIM: 6</br>aqMod: 1</br>isFid: false</br>tdOff: 0</br>title: Parameter file, TopSpin 3.6.1</br>DSPFVS: 10</br>nucleus: 13C</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 238.768728992791</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003</br>experiment: 1d</br>groupDelay: -1</br>temperature: 298.2</br>spectrumSize: 32768</br>baseFrequency: 125.757789</br>fieldStrength: 11.743848685759856</br>numberOfScans: 512</br>pulseSequence: zgpg</br>spectralWidth: 238.768728992791</br>numberOfPoints: 2</br>relaxationTime: 2</br>acquisitionTime: 0.00001664999999999999</br>frequencyOffset: 12575.304853001511</br>originFrequency: 125.770364304853</br>pulseStrength90: 21739.130434782608</br>experimentNumber: 8</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-25T21:31:06.000Z</br>isFt: false</br>name: Hexyl PS/9</br>phc0: 226.6152</br>phc1: -0.4487027</br>type: NMR FID</br>DECIM: 24</br>aqMod: 3</br>isFid: true</br>tdOff: 0</br>title: Parameter file, TopSpin 3.6.1</br>DSPFVS: 12</br>nucleus: 1H</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.00006240000000000018</br>isComplex: true</br>probeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003</br>experiment: 1d</br>groupDelay: -1</br>temperature: 298.2</br>spectrumSize: 32768</br>baseFrequency: 500.13</br>digitalFilter: 70.16666666666667</br>fieldStrength: 11.746350827011339</br>numberOfScans: 8</br>pulseSequence: zg30</br>spectralWidth: 16.0213765034678</br>numberOfPoints: 39</br>relaxationTime: 1</br>acquisitionTime: 0.002371200000000007</br>frequencyOffset: 3088.5074780258037</br>originFrequency: 500.133088507478</br>pulseStrength90: 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'InChI=1S/C31H30O6/c1-35-22-6-4-5-18(11-22)7-8-20-12-23(36-2)16-29(34)31(20)26-17-25-19(14-27(26)32)9-10-21-13-24(37-3)15-28(33)30(21)25/h4-6,11-17,32-34H,7-10H2,1-3H3', 'inchi_key': 'BNERSLYPSYJWCL-UHFFFAOYSA-N', 'isopen': False, 'language': 'english', 'license_title': None, 'maintainer_email': None, 'measurement_technique': '13C nuclear magnetic resonance spectroscopy', 'measurement_technique_iri': 'CHMO:0000595', 'metadata_created': '2025-02-03T17:07:17.384692', 'metadata_modified': '2025-02-03T17:07:17.384698', 'metadata_published': '2025-01-16 04:42:00', 'name': 'calancardin-b-1d', 'notes': 'This dataset contains NMR spectra obtained for the sample -Calancardin B date: 2022-09-26T13:56:58.000Z isFt: true name: Calancardin B/0 phc0: 116.1641 phc1: -18.90791 type: NMR Spectrum DECIM: 840 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.1.3 DSPFVS: 21 nucleus: 13C reverse: false solvent: Acetone dimension: 1 increment: 16.90052117616536 isComplex: true probeName: Z167430_0027 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: 1d groupDelay: 76 temperature: 298.1472 spectrumSize: 65536 baseFrequency: 100.61779753 fieldStrength: 9.396159066431597 numberOfScans: 5000 pulseSequence: zgpg30 spectralWidth: 236.607296466315 numberOfPoints: 15 relaxationTime: 2 acquisitionTime: 0.0002940000000000002 frequencyOffset: 11067.957728002399 originFrequency: 100.628865487728 pulseStrength90: 23148.148148148146 experimentNumber: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-09-23T11:50:47.000Z isFt: true name: Calancardin B/0 phc0: -301.6676 phc1: -0.929837 type: NMR Spectrum DECIM: 2440 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.1.3 DSPFVS: 21 nucleus: 1H reverse: false solvent: Acetone dimension: 1 increment: 0.3593684005095737 isComplex: true probeName: Z167430_0027 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: 1d groupDelay: 76 temperature: 298.1526 spectrumSize: 65536 baseFrequency: 400.15 fieldStrength: 9.398161044985478 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 20.4839988290457 numberOfPoints: 58 relaxationTime: 1 acquisitionTime: 0.0034769999999999936 frequencyOffset: 2400.8999999978187 originFrequency: 400.1524009 pulseStrength90: 20833.333333333332 experimentNumber: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-09-26T21:26:56.000Z isFt: true name: Calancardin B/0 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 2440 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.3 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: Acetone dimension: 2 increment: 5.12098434440055 isComplex: false probeName: Z167430_0027 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: cosy groupDelay: 68 temperature: 298.142 spectrumSize: 2048,1024 baseFrequency: 400.15,400.15 fieldStrength: 9.398161044985478 numberOfScans: 24 pulseSequence: cosygpppqf spectralWidth: 20.4839373776022,20.4839382977791 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00024400000000000048 frequencyOffset: 3601.349999996728,3601.349999996728 originFrequency: 400.15360135,400.15360135 pulseStrength90: 20833.333333333332 experimentNumber: 0 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,640 lpNumberOfCoefficients: 0,80 windowMultiplicationMode: 4,4 date: 2022-09-26T19:32:14.000Z isFt: true name: Calancardin B/0 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 2440 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.3 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: Acetone dimension: 2 increment: 4.09678747552044 isComplex: false probeName: Z167430_0027 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: hmbc groupDelay: 68 temperature: 298.1485 spectrumSize: 4096,1024 baseFrequency: 400.15,100.61779753 fieldStrength: 9.398161044985478 numberOfScans: 64 pulseSequence: hmbcetgpl3nd spectralWidth: 20.4839373776022,236.607299999999 numberOfPoints: 6 relaxationTime: 2 acquisitionTime: 0.0003050000000000006 frequencyOffset: 3601.349999996728,11067.957728002399 originFrequency: 400.15360135,100.628865487728 pulseStrength90: 20833.333333333332 experimentNumber: 0 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,800 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 3,4 date: 2022-09-26T15:22:44.000Z isFt: true name: Calancardin B/0 phc0: -122.9406,0 phc1: 0,0 type: NMR Spectrum DECIM: 2440 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.3 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: Acetone dimension: 2 increment: 5.12098434440055 isComplex: false probeName: Z167430_0027 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: hsqc groupDelay: 68 temperature: 298.1404 spectrumSize: 2048,2048 baseFrequency: 400.15,100.61779753 fieldStrength: 9.398161044985478 numberOfScans: 24 pulseSequence: hsqcedetgpsp.3 spectralWidth: 20.4839373776022,236.607299999999 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00024400000000000048 frequencyOffset: 3601.349999996728,11067.957728002399 originFrequency: 400.15360135,100.628865487728 pulseStrength90: 20833.333333333332 experimentNumber: 0 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,800 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2022-09-27T01:47:46.000Z isFt: true name: Calancardin B/0 phc0: 65.00465,106.5115 phc1: -6,-200.175 type: NMR Spectrum DECIM: 2440 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.3 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: Acetone dimension: 2 increment: 6.8279791258674 isComplex: false probeName: Z167430_0027 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: noesy groupDelay: 76 temperature: 298.1903 spectrumSize: 1024,1024 baseFrequency: 400.15,400.15 fieldStrength: 9.398161044985478 numberOfScans: 16 pulseSequence: noesygpphzs spectralWidth: 20.4839373776022,20.4839382977791 numberOfPoints: 4 relaxationTime: 2 acquisitionTime: 0.00018300000000000036 frequencyOffset: 3601.349999996728,3601.349999996728 originFrequency: 400.15360135,400.15360135 pulseStrength90: 20833.333333333332 experimentNumber: 0 acquisitionScheme: States-TPPI linearPredictionBin: 0,800 lpNumberOfCoefficients: 0,60 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_study': '[]', 'smiles': 'COC1=CC(CCC2=CC(OC)=CC(O)=C2C2=CC3=C(C=C2O)CCC2=C3C(O)=CC(OC)=C2)=CC=C1', 'state': 'active', 'title': 'Calancardin B.1d', 'type': 'dataset', 'url': 'https://nmrxiv.org/D3686', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-02-03T17:07:17.393486', 'format': 'HTML', 'hash': '', 'id': 'e201c66b-3edc-4d62-b8d9-f52a980ffd0d', 'last_modified': None, 'metadata_modified': '2025-02-03T17:07:17.380279', 'mimetype': None, 'mimetype_inner': None, 'name': 'Calancardin B.1d', 'package_id': 'nmrxiv-d3686', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://nmrxiv.org/D3686', 'url_type': None}], 'tags': [{'display_name': '13c-nuclear-magnetic-resonance-spectroscopy', 'id': 'a0712442-6363-4073-b319-95b4215e0d06', 'name': '13c-nuclear-magnetic-resonance-spectroscopy', 'state': 'active', 'vocabulary_id': None}], 'variableMeasured': [{'variableMeasured_name': 'NMR solvent', 'variableMeasured_propertyID': 'NMR:1000330', 'variableMeasured_value': 'Acetone'}, {'variableMeasured_name': 'acquisition nucleus', 'variableMeasured_propertyID': 'NMR:1400083', 'variableMeasured_value': ['13C']}, {'variableMeasured_name': 'NMR spectrum by dimensionality', 'variableMeasured_propertyID': 'NMR:1000117', 'variableMeasured_value': 1}, {'variableMeasured_name': 'NMR probe', 'variableMeasured_propertyID': 'OBI:0000516', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/OBI_0000516', 'variableMeasured_value': 'Z167430_0027 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT)'}, {'variableMeasured_name': 'Temperature', 'variableMeasured_propertyID': 'NCIT:C25206', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C25206', 'variableMeasured_value': 298.1472}, {'variableMeasured_name': 'irradiation frequency', 'variableMeasured_propertyID': 'NMR:1400026', 'variableMeasured_value': 100.61779753}, {'variableMeasured_name': 'magnetic field strength', 'variableMeasured_propertyID': 'MR:1400253', 'variableMeasured_value': 9.396159066431597}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': 5000}, {'variableMeasured_name': 'nuclear magnetic resonance pulse sequence', 'variableMeasured_propertyID': 'CHMO:0001841', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/CHMO_0001841', 'variableMeasured_value': 'zgpg30'}, {'variableMeasured_name': 'Spectral Width', 'variableMeasured_propertyID': 'NCIT:C156496', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C156496', 'variableMeasured_value': 236.607296466315}, {'variableMeasured_name': 'number of data points', 'variableMeasured_propertyID': 'NMR:1000176', 'variableMeasured_value': '15'}, {'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': 'e3293e4a-1afb-4565-9526-24111f796fa4'}, {'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.p89.s742.d3680', 'id': 'nmrxiv-d3680', 'inchi': 'InChI=1S/C31H30O7/c1-36-22-11-17(10-21(33)15-22)4-5-18-12-25(31(35)28(13-18)38-3)29-24-8-6-19-14-20(32)7-9-23(19)30(24)27(37-2)16-26(29)34/h7,9-16,32-35H,4-6,8H2,1-3H3', 'inchi_key': 'FKLAWLVOHXRCJF-UHFFFAOYSA-N', 'isopen': False, 'language': 'english', 'license_title': None, 'maintainer_email': None, 'measurement_technique': '13C nuclear magnetic resonance spectroscopy', 'measurement_technique_iri': 'CHMO:0000595', 'metadata_created': '2025-02-03T17:07:05.140315', 'metadata_modified': '2025-02-03T17:07:05.140322', 'metadata_published': '2025-01-16 04:42:00', 'name': 'calancardin-c-1d', 'notes': 'This dataset contains NMR spectra obtained for the sample -Calancardin C date: 2022-10-08T01:00:51.000Z isFt: true name: Calancardin C/0 phc0: 107.2063 phc1: -19.77604 type: NMR Spectrum DECIM: 840 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.1.3 DSPFVS: 21 nucleus: 13C reverse: false solvent: Acetone dimension: 1 increment: 8.158872291941897 isComplex: true probeName: Z167430_0027 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: 1d groupDelay: 76 temperature: 298.1513 spectrumSize: 65536 baseFrequency: 100.61779753 fieldStrength: 9.396159066431597 numberOfScans: 17744 pulseSequence: zgpg30 spectralWidth: 236.607296466315 numberOfPoints: 30 relaxationTime: 2 acquisitionTime: 0.0006090000000000004 frequencyOffset: 11067.957728002399 originFrequency: 100.628865487728 pulseStrength90: 23148.148148148146 experimentNumber: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-10-04T07:21:15.000Z isFt: true name: Calancardin C/0 phc0: -301.8677 phc1: -1.3493 type: NMR Spectrum DECIM: 2440 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.1.3 DSPFVS: 21 nucleus: 1H reverse: false solvent: Acetone dimension: 1 increment: 0.7586666232979888 isComplex: true probeName: Z167430_0027 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: 1d groupDelay: 76 temperature: 298.1443 spectrumSize: 65536 baseFrequency: 400.15 fieldStrength: 9.398161044985478 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 20.4839988290457 numberOfPoints: 28 relaxationTime: 1 acquisitionTime: 0.001646999999999997 frequencyOffset: 2400.8999999978187 originFrequency: 400.1524009 pulseStrength90: 20833.333333333332 experimentNumber: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-10-08T09:34:25.000Z isFt: true name: Calancardin C/0 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 2440 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.3 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: Acetone dimension: 2 increment: 3.4139895629337 isComplex: false probeName: Z167430_0027 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: cosy groupDelay: 68 temperature: 298.161 spectrumSize: 2048,1024 baseFrequency: 400.15,400.15 fieldStrength: 9.398161044985478 numberOfScans: 28 pulseSequence: cosygpppqf spectralWidth: 20.4839373776022,20.4839382977791 numberOfPoints: 7 relaxationTime: 2 acquisitionTime: 0.0003660000000000007 frequencyOffset: 3601.349999996728,3601.349999996728 originFrequency: 400.15360135,400.15360135 pulseStrength90: 20833.333333333332 experimentNumber: 0 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,640 lpNumberOfCoefficients: 0,80 windowMultiplicationMode: 4,4 date: 2022-10-09T01:25:12.000Z isFt: true name: Calancardin C/0 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 2440 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.3 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: Acetone dimension: 2 increment: 2.9262767682288855 isComplex: false probeName: Z167430_0027 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: hmbc groupDelay: 68 temperature: 298.1481 spectrumSize: 4096,1024 baseFrequency: 400.15,100.61779753 fieldStrength: 9.398161044985478 numberOfScans: 120 pulseSequence: hmbcetgpl3nd spectralWidth: 20.4839373776022,236.607299999999 numberOfPoints: 8 relaxationTime: 2 acquisitionTime: 0.00042700000000000084 frequencyOffset: 3601.349999996728,11067.957728002399 originFrequency: 400.15360135,100.628865487728 pulseStrength90: 20833.333333333332 experimentNumber: 0 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,800 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 3,4 date: 2022-10-08T17:38:07.000Z isFt: true name: Calancardin C/0 phc0: -122.9406,0 phc1: 0,0 type: NMR Spectrum DECIM: 2440 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.3 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: Acetone dimension: 2 increment: 2.560492172200275 isComplex: false probeName: Z167430_0027 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: hsqc groupDelay: 68 temperature: 298.1598 spectrumSize: 2048,2048 baseFrequency: 400.15,100.61779753 fieldStrength: 9.398161044985478 numberOfScans: 32 pulseSequence: hsqcedetgpsp.3 spectralWidth: 20.4839373776022,236.607299999999 numberOfPoints: 9 relaxationTime: 2 acquisitionTime: 0.00048800000000000097 frequencyOffset: 3601.349999996728,11067.957728002399 originFrequency: 400.15360135,100.628865487728 pulseStrength90: 20833.333333333332 experimentNumber: 0 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,800 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2022-10-08T16:05:13.000Z isFt: true name: Calancardin C/0 phc0: 49.37077,92.32903 phc1: 12.5,-182.575 type: NMR Spectrum DECIM: 2440 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.3 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: Acetone dimension: 2 increment: 4.09678747552044 isComplex: false probeName: Z167430_0027 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: noesy groupDelay: 76 temperature: 298.1447 spectrumSize: 1024,1024 baseFrequency: 400.15,400.15 fieldStrength: 9.398161044985478 numberOfScans: 24 pulseSequence: noesygpphzs spectralWidth: 20.4839373776022,20.4839382977791 numberOfPoints: 6 relaxationTime: 2 acquisitionTime: 0.0003050000000000006 frequencyOffset: 3601.349999996728,3601.349999996728 originFrequency: 400.15360135,400.15360135 pulseStrength90: 20833.333333333332 experimentNumber: 0 acquisitionScheme: States-TPPI linearPredictionBin: 0,800 lpNumberOfCoefficients: 0,60 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_study': '[]', 'smiles': 'COC1=CC(CCC2=CC(OC)=C(O)C(C3=C4CCC5=C(C=CC(O)=C5)C4=C(OC)C=C3O)=C2)=CC(O)=C1', 'state': 'active', 'title': 'Calancardin C.1d', 'type': 'dataset', 'url': 'https://nmrxiv.org/D3680', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-02-03T17:07:05.143967', 'format': 'HTML', 'hash': '', 'id': '11f09c4a-ce45-469e-89d3-8efca28eaf29', 'last_modified': None, 'metadata_modified': '2025-02-03T17:07:05.129664', 'mimetype': None, 'mimetype_inner': None, 'name': 'Calancardin C.1d', 'package_id': 'nmrxiv-d3680', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://nmrxiv.org/D3680', 'url_type': None}], 'tags': [{'display_name': '13c-nuclear-magnetic-resonance-spectroscopy', 'id': 'a0712442-6363-4073-b319-95b4215e0d06', 'name': '13c-nuclear-magnetic-resonance-spectroscopy', 'state': 'active', 'vocabulary_id': None}], 'variableMeasured': [{'variableMeasured_name': 'NMR solvent', 'variableMeasured_propertyID': 'NMR:1000330', 'variableMeasured_value': 'Acetone'}, {'variableMeasured_name': 'acquisition nucleus', 'variableMeasured_propertyID': 'NMR:1400083', 'variableMeasured_value': ['13C']}, {'variableMeasured_name': 'NMR spectrum by dimensionality', 'variableMeasured_propertyID': 'NMR:1000117', 'variableMeasured_value': 1}, {'variableMeasured_name': 'NMR probe', 'variableMeasured_propertyID': 'OBI:0000516', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/OBI_0000516', 'variableMeasured_value': 'Z167430_0027 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT)'}, {'variableMeasured_name': 'Temperature', 'variableMeasured_propertyID': 'NCIT:C25206', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C25206', 'variableMeasured_value': 298.1513}, {'variableMeasured_name': 'irradiation frequency', 'variableMeasured_propertyID': 'NMR:1400026', 'variableMeasured_value': 100.61779753}, {'variableMeasured_name': 'magnetic field strength', 'variableMeasured_propertyID': 'MR:1400253', 'variableMeasured_value': 9.396159066431597}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': 17744}, {'variableMeasured_name': 'nuclear magnetic resonance pulse sequence', 'variableMeasured_propertyID': 'CHMO:0001841', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/CHMO_0001841', 'variableMeasured_value': 'zgpg30'}, {'variableMeasured_name': 'Spectral Width', 'variableMeasured_propertyID': 'NCIT:C156496', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C156496', 'variableMeasured_value': 236.607296466315}, {'variableMeasured_name': 'number of data points', 'variableMeasured_propertyID': 'NMR:1000176', 'variableMeasured_value': '30'}, {'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': '482be93b-f7e3-4533-a0c6-691d76d4c767'}, {'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.p89.s741.d3674', 'id': 'nmrxiv-d3674', 'inchi': 'InChI=1S/C30H26O6/c1-35-19-10-17-4-3-16-11-24(32)23(13-22(16)28(17)25(33)12-19)29-21-7-5-15-9-18(31)6-8-20(15)30(21)27(36-2)14-26(29)34/h6,8-14,31-34H,3-5,7H2,1-2H3', 'inchi_key': 'QFNCLXDVKNPDBF-UHFFFAOYSA-N', 'isopen': False, 'language': 'english', 'license_title': None, 'maintainer_email': None, 'measurement_technique': '13C nuclear magnetic resonance spectroscopy', 'measurement_technique_iri': 'CHMO:0000595', 'metadata_created': '2025-02-03T17:06:50.671648', 'metadata_modified': '2025-02-03T17:06:50.671654', 'metadata_published': '2025-01-16 04:42:00', 'name': 'calancardin-a-1d', 'notes': 'This dataset contains NMR spectra obtained for the sample -Calancardin A date: 2022-06-29T13:32:37.000Z isFt: true name: Calancardin A/0 phc0: 112.0828 phc1: -20.07775 type: NMR Spectrum DECIM: 840 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.4.1 DSPFVS: 21 nucleus: 13C reverse: false solvent: Acetone dimension: 1 increment: null isComplex: true probeName: Z167430_0027 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: 1d groupDelay: 76 temperature: 298.1408 spectrumSize: 65536 baseFrequency: 100.61779753 fieldStrength: 9.396159066431597 numberOfScans: 1858 pulseSequence: zgpg30 spectralWidth: 236.607296466315 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 11067.957728002399 originFrequency: 100.628865487728 pulseStrength90: 23148.148148148146 experimentNumber: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-06-25T08:03:05.000Z isFt: true name: Calancardin A/0 phc0: -306.7344 phc1: 4.550801 type: NMR Spectrum DECIM: 2440 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.7.0 DSPFVS: 21 nucleus: 1H reverse: false solvent: Acetone dimension: 1 increment: 0.27311998438727597 isComplex: true probeName: Z167430_0027 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: 1d groupDelay: 76 temperature: 298.151 spectrumSize: 65536 baseFrequency: 400.15 fieldStrength: 9.398161044985478 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 20.4839988290457 numberOfPoints: 76 relaxationTime: 1 acquisitionTime: 0.004574999999999991 frequencyOffset: 2400.8999999978187 originFrequency: 400.1524009 pulseStrength90: 20833.333333333332 experimentNumber: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-07-07T02:18:53.000Z isFt: true name: Calancardin A/0 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 2440 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.3 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: Acetone dimension: 2 increment: 3.4139895629337 isComplex: false probeName: Z167430_0027 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: cosy groupDelay: 68 temperature: 298.1531 spectrumSize: 2048,1024 baseFrequency: 400.15,400.15 fieldStrength: 9.398161044985478 numberOfScans: 8 pulseSequence: cosygpppqf spectralWidth: 20.4839373776022,20.4839382977791 numberOfPoints: 7 relaxationTime: 2 acquisitionTime: 0.0003660000000000007 frequencyOffset: 3601.349999996728,3601.349999996728 originFrequency: 400.15360135,400.15360135 pulseStrength90: 20833.333333333332 experimentNumber: 0 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,640 lpNumberOfCoefficients: 0,80 windowMultiplicationMode: 4,4 date: 2022-07-07T04:51:38.000Z isFt: true name: Calancardin A/0 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 2440 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.3 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: Acetone dimension: 2 increment: 2.9262767682288855 isComplex: false probeName: Z167430_0027 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: hmbc groupDelay: 68 temperature: 298.1113 spectrumSize: 4096,1024 baseFrequency: 400.15,100.61779753 fieldStrength: 9.398161044985478 numberOfScans: 16 pulseSequence: hmbcetgpl3nd spectralWidth: 20.4839373776022,236.607299999999 numberOfPoints: 8 relaxationTime: 2 acquisitionTime: 0.00042700000000000084 frequencyOffset: 3601.349999996728,11067.957728002399 originFrequency: 400.15360135,100.628865487728 pulseStrength90: 20833.333333333332 experimentNumber: 0 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,800 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 3,4 date: 2022-07-07T03:48:39.000Z isFt: true name: Calancardin A/0 phc0: -122.9406,0 phc1: 0,0 type: NMR Spectrum DECIM: 2440 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.3 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: Acetone dimension: 2 increment: 2.560492172200275 isComplex: false probeName: Z167430_0027 (CPP1.1 BBO 400S1 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', 'page': Page:
Collection type: <class 'list'>
(Current) page: 1
First item: 1
Last item: 20
First page: 1
Last page: 22
Previous page: None
Next page: 2
Items per page: 20
Number of items: 427
Number of pages: 22
} |
