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{'author': 'Offei SD, Arman HD, Yoshimoto FK.', 'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'doi': '10.57992/nmrxiv.p70.s556.d2936', 'id': 'nmrxiv-d2936', 'inchi': 'InChI=1S/C28H38N2O4/c1-18(31)33-21-11-14-28(17-30-26-6-4-5-15-29-26)20(16-21)7-8-22-23-9-10-25(34-19(2)32)27(23,3)13-12-24(22)28/h4-6,15,17,20-25H,7-14,16H2,1-3H3/b30-17+/t20-,21?,22?,23?,24?,25?,27?,28?/m0/s1', 'inchi_key': 'ZXYIUOWLVJXPKU-QJTFSOLLSA-N', 'isopen': False, 'language': 'english', 'license_id': 'CC BY-NC-SA 4.0 Deed', 'license_title': 'Attribution-NonCommercial-ShareAlike 4.0 International', 'license_url': 'https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode', 'maintainer_email': None, 'measurement_technique': 'heteronuclear multiple bond coherence', 'measurement_technique_iri': 'CHMO:0000601', 'metadata_created': '2025-02-03T16:47:49.956614', 'metadata_modified': '2025-02-03T16:47:49.956621', 'metadata_published': '2024-06-16 20:19:13', 'name': '6_sodxxi_049_full_c19_imine_d5_reduced_c3_c17_diacetate_08_04_2021-cp6-hmbc', 'notes': 'This dataset contains NMR spectra obtained for the sample -6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6 date: 2021-08-04T17:40:17.000Z isFt: true name: 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6/1 phc0: -52.08487 phc1: 41.25512 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.4 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 0.399893557690502 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298.1519 spectrumSize: 65536 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 8 pulseSequence: zg30 spectralWidth: 19.9946778845251 numberOfPoints: 51 relaxationTime: 1 acquisitionTime: 0.0025000000000021906 frequencyOffset: 3088.3019999805583 originFrequency: 500.133088302 pulseStrength90: 19516.003122560498 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2021-08-04T17:49:36.000Z isFt: true name: 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6/2 phc0: -124.4771 phc1: 26.67358 type: NMR Spectrum DECIM: 672 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.4 DSPFVS: 21 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 19.719738778399417 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 76 temperature: 298.1497 spectrumSize: 131072 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 96 pulseSequence: udeft spectralWidth: 236.636865340793 numberOfPoints: 13 relaxationTime: 4 acquisitionTime: 0.0002016 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 15384.615384615385 experimentNumber: 2 linearPredictionBin: 262144 lpNumberOfCoefficients: 4096 windowMultiplicationMode: 1 date: 2021-08-04T17:57:26.000Z isFt: false name: 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6/3 phc0: 0 phc1: 0 type: NMR FID DECIM: 672 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: dept groupDelay: 67.9838256835938 temperature: 298.1507 spectrumSize: 32768 baseFrequency: 125.757788526 digitalFilter: 67.9838256835938 fieldStrength: 11.743848641495527 numberOfScans: 128 pulseSequence: deptsp90 spectralWidth: 236.636865341416 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 15384.615384615385 experimentNumber: 3 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2021-08-04T18:00:19.000Z isFt: false name: 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6/4 phc0: 174.2729 phc1: 249.6 type: NMR FID DECIM: 992 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: dept groupDelay: 67.9840087890625 temperature: 298.1508 spectrumSize: 32768 baseFrequency: 125.757788526 digitalFilter: 67.9840087890625 fieldStrength: 11.743848641495527 numberOfScans: 32 pulseSequence: deptsp135 spectralWidth: 160.305598442561 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 10060.621999997466 originFrequency: 125.767849148 pulseStrength90: 15384.615384615385 experimentNumber: 4 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2021-08-04T18:01:08.000Z isFt: false name: 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6/5 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 3080 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: cosy groupDelay: 67.985595703125 temperature: 298.1513 spectrumSize: 1024,1024 baseFrequency: 500.13,500.13 digitalFilter: 67.985595703125 fieldStrength: 11.746350827011339 numberOfScans: 1 pulseSequence: cosygpppqf spectralWidth: 12.9835593399742,12.9835593399742 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 3000.779999979386,3000.779999979386 originFrequency: 500.13300078,500.13300078 pulseStrength90: 19516.003122560498 experimentNumber: 5 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2021-08-04T18:03:17.000Z isFt: false name: 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6/6 phc0: -159.3368,3.253899 phc1: -12.14621,0 type: NMR FID DECIM: 3080 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 21 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hsqc groupDelay: 76 temperature: 298.1476 spectrumSize: 2048,2048 baseFrequency: 500.13,125.757788526 digitalFilter: 76 fieldStrength: 11.746350827011339 numberOfScans: 2 pulseSequence: hsqcedetgpsisp2.3 spectralWidth: 12.983576218522,164.962602395549 numberOfPoints: 1 relaxationTime: 1.5 acquisitionTime: 0 frequencyOffset: 2350.610999997116,9431.835000000887 originFrequency: 500.132350611,125.767220361 pulseStrength90: 19516.003122560498 experimentNumber: 6 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 4,4 date: 2021-08-05T10:32:05.000Z isFt: false name: 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6/7 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 3080 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hmbc groupDelay: 67.985595703125 temperature: 298.1496 spectrumSize: 2048,1024 baseFrequency: 500.13,125.757788526 digitalFilter: 67.985595703125 fieldStrength: 11.746350827011339 numberOfScans: 4 pulseSequence: hmbcetgpl3nd spectralWidth: 12.9835658317182,239.487911911164 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 2750.714999990578,12575.779000002285 originFrequency: 500.132750715,125.770364305 pulseStrength90: 19516.003122560498 experimentNumber: 7 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,4 date: 2021-08-05T09:26:55.000Z isFt: false name: 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6/8 phc0: -44.21659,267.9648 phc1: 30.88338,-180 type: NMR FID DECIM: 4000 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: noesy groupDelay: 67.9842834472656 temperature: 298.1497 spectrumSize: 1024,1024 baseFrequency: 500.13,500.13 digitalFilter: 67.9842834472656 fieldStrength: 11.746350827011339 numberOfScans: 4 pulseSequence: noesygpphpp spectralWidth: 9.99735368826195,9.99735368826195 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 2350.610999997116,2350.610999997116 originFrequency: 500.132350611,500.132350611 pulseStrength90: 19516.003122560498 experimentNumber: 8 acquisitionScheme: States-TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 date: 2021-08-05T10:30:30.000Z isFt: true name: 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6/9 phc0: -131.9607 phc1: 36.23207 type: NMR Spectrum DECIM: 672 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.4 DSPFVS: 21 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 59.15921633519825 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 76 temperature: 298.1503 spectrumSize: 131072 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 512 pulseSequence: udeft spectralWidth: 236.636865340793 numberOfPoints: 5 relaxationTime: 4 acquisitionTime: 0.0000672 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 15384.615384615385 experimentNumber: 9 linearPredictionBin: 262144 lpNumberOfCoefficients: 4096 windowMultiplicationMode: 1', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '14e443f8-70e7-497d-9785-3727d79901ab', 'name': 'nmrxiv', 'title': 'nmrXiv', 'type': 'repository', 'description': 'The Open, FAIR and Consensus-Driven NMR spectroscopy data repository and analysis platform.', 'image_url': 'nmrXiv_logo.svg', 'created': '2024-04-22T15:05:05.930653', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '14e443f8-70e7-497d-9785-3727d79901ab', 'private': False, 'related_study': '[]', 'smiles': 'CC(=O)OC1CCC2(/C=N/C3=NC=CC=C3)C3CCC4(C)C(OC(C)=O)CCC4C3CC[C@H]2C1', 'state': 'active', 'title': '6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6.hmbc', 'type': 'dataset', 'url': 'https://nmrxiv.org/D2936', 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2025-02-03T16:47:49.959485', 'format': 'HTML', 'hash': '', 'id': '235ca853-3255-42f3-aa14-448130516662', 'last_modified': None, 'metadata_modified': '2025-02-03T16:47:49.951994', 'mimetype': None, 'mimetype_inner': None, 'name': '6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6.hmbc', 'package_id': 'nmrxiv-d2936', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://nmrxiv.org/D2936', 'url_type': None, 'has_views': False, 'on_same_domain': False}], 'tags': [{'display_name': 'heteronuclear-multiple-bond-coherence', 'id': 'ff8aacdb-a2ed-4f4c-969c-554146a8a046', 'name': 'heteronuclear-multiple-bond-coherence', 'state': 'active', 'vocabulary_id': None}], 'variableMeasured': [{'variableMeasured_name': 'NMR solvent', 'variableMeasured_propertyID': 'NMR:1000330', 'variableMeasured_value': 'CDCl3'}, {'variableMeasured_name': 'acquisition nucleus', 'variableMeasured_propertyID': 'NMR:1400083', 'variableMeasured_value': ['1H', '13C']}, {'variableMeasured_name': 'NMR spectrum by dimensionality', 'variableMeasured_propertyID': 'NMR:1000117', 'variableMeasured_value': 2}, {'variableMeasured_name': 'NMR probe', 'variableMeasured_propertyID': 'OBI:0000516', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/OBI_0000516', 'variableMeasured_value': 'Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z)'}, {'variableMeasured_name': 'Temperature', 'variableMeasured_propertyID': 'NCIT:C25206', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C25206', 'variableMeasured_value': 298.1496}, {'variableMeasured_name': 'irradiation frequency', 'variableMeasured_propertyID': 'NMR:1400026', 'variableMeasured_value': [500.13, 125.757788526]}, {'variableMeasured_name': 'magnetic field strength', 'variableMeasured_propertyID': 'MR:1400253', 'variableMeasured_value': 11.746350827011339}, {'variableMeasured_name': 'number of scans', 'variableMeasured_propertyID': 'NMR:1400087', 'variableMeasured_value': 4}, {'variableMeasured_name': 'nuclear magnetic resonance pulse sequence', 'variableMeasured_propertyID': 'CHMO:0001841', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/CHMO_0001841', 'variableMeasured_value': 'hmbcetgpl3nd'}, {'variableMeasured_name': 'Spectral Width', 'variableMeasured_propertyID': 'NCIT:C156496', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/NCIT_C156496', 'variableMeasured_value': [12.9835658317182, 239.487911911164]}, {'variableMeasured_name': 'number of data points', 'variableMeasured_propertyID': 'NMR:1000176', 'variableMeasured_value': '1'}, {'variableMeasured_name': 'relaxation time measurement', 'variableMeasured_propertyID': 'FIX:0000202', 'variableMeasured_tsurl': 'http://purl.obolibrary.org/obo/FIX_0000202', 'variableMeasured_value': 2}], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': [], 'extras': [{'key': 'harvest_object_id', 'value': '780d08ce-a753-4672-94c5-672efa096828'}, {'key': 'harvest_source_id', 'value': '289ee33f-3b9e-4677-b96f-56659c421105'}, {'key': 'harvest_source_title', 'value': 'nmrXiv Harvester'}], 'related_molecule': ['5045c929-c848-425b-a584-9227d9dfe21d']} |
| pkg |
<Package id=nmrxiv-d2936 name=6_sodxxi_049_full_c19_imine_d5_reduced_c3_c17_diacetate_08_04_2021-cp6-hmbc title=6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6.hmbc version=None url=https://nmrxiv.org/D2936 author=Offei SD, Arman HD, Yoshimoto FK. author_email=None maintainer=None maintainer_email=None notes=This dataset contains NMR spectra obtained for the sample -6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6 date: 2021-08-04T17:40:17.000Z isFt: true name: 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6/1 phc0: -52.08487 phc1: 41.25512 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.4 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 0.399893557690502 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298.1519 spectrumSize: 65536 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 8 pulseSequence: zg30 spectralWidth: 19.9946778845251 numberOfPoints: 51 relaxationTime: 1 acquisitionTime: 0.0025000000000021906 frequencyOffset: 3088.3019999805583 originFrequency: 500.133088302 pulseStrength90: 19516.003122560498 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2021-08-04T17:49:36.000Z isFt: true name: 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6/2 phc0: -124.4771 phc1: 26.67358 type: NMR Spectrum DECIM: 672 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.4 DSPFVS: 21 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 19.719738778399417 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 76 temperature: 298.1497 spectrumSize: 131072 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 96 pulseSequence: udeft spectralWidth: 236.636865340793 numberOfPoints: 13 relaxationTime: 4 acquisitionTime: 0.0002016 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 15384.615384615385 experimentNumber: 2 linearPredictionBin: 262144 lpNumberOfCoefficients: 4096 windowMultiplicationMode: 1 date: 2021-08-04T17:57:26.000Z isFt: false name: 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6/3 phc0: 0 phc1: 0 type: NMR FID DECIM: 672 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: dept groupDelay: 67.9838256835938 temperature: 298.1507 spectrumSize: 32768 baseFrequency: 125.757788526 digitalFilter: 67.9838256835938 fieldStrength: 11.743848641495527 numberOfScans: 128 pulseSequence: deptsp90 spectralWidth: 236.636865341416 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 15384.615384615385 experimentNumber: 3 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2021-08-04T18:00:19.000Z isFt: false name: 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6/4 phc0: 174.2729 phc1: 249.6 type: NMR FID DECIM: 992 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: dept groupDelay: 67.9840087890625 temperature: 298.1508 spectrumSize: 32768 baseFrequency: 125.757788526 digitalFilter: 67.9840087890625 fieldStrength: 11.743848641495527 numberOfScans: 32 pulseSequence: deptsp135 spectralWidth: 160.305598442561 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 10060.621999997466 originFrequency: 125.767849148 pulseStrength90: 15384.615384615385 experimentNumber: 4 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2021-08-04T18:01:08.000Z isFt: false name: 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6/5 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 3080 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: cosy groupDelay: 67.985595703125 temperature: 298.1513 spectrumSize: 1024,1024 baseFrequency: 500.13,500.13 digitalFilter: 67.985595703125 fieldStrength: 11.746350827011339 numberOfScans: 1 pulseSequence: cosygpppqf spectralWidth: 12.9835593399742,12.9835593399742 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 3000.779999979386,3000.779999979386 originFrequency: 500.13300078,500.13300078 pulseStrength90: 19516.003122560498 experimentNumber: 5 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2021-08-04T18:03:17.000Z isFt: false name: 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6/6 phc0: -159.3368,3.253899 phc1: -12.14621,0 type: NMR FID DECIM: 3080 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 21 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hsqc groupDelay: 76 temperature: 298.1476 spectrumSize: 2048,2048 baseFrequency: 500.13,125.757788526 digitalFilter: 76 fieldStrength: 11.746350827011339 numberOfScans: 2 pulseSequence: hsqcedetgpsisp2.3 spectralWidth: 12.983576218522,164.962602395549 numberOfPoints: 1 relaxationTime: 1.5 acquisitionTime: 0 frequencyOffset: 2350.610999997116,9431.835000000887 originFrequency: 500.132350611,125.767220361 pulseStrength90: 19516.003122560498 experimentNumber: 6 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 4,4 date: 2021-08-05T10:32:05.000Z isFt: false name: 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6/7 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 3080 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hmbc groupDelay: 67.985595703125 temperature: 298.1496 spectrumSize: 2048,1024 baseFrequency: 500.13,125.757788526 digitalFilter: 67.985595703125 fieldStrength: 11.746350827011339 numberOfScans: 4 pulseSequence: hmbcetgpl3nd spectralWidth: 12.9835658317182,239.487911911164 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 2750.714999990578,12575.779000002285 originFrequency: 500.132750715,125.770364305 pulseStrength90: 19516.003122560498 experimentNumber: 7 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,4 date: 2021-08-05T09:26:55.000Z isFt: false name: 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6/8 phc0: -44.21659,267.9648 phc1: 30.88338,-180 type: NMR FID DECIM: 4000 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: noesy groupDelay: 67.9842834472656 temperature: 298.1497 spectrumSize: 1024,1024 baseFrequency: 500.13,500.13 digitalFilter: 67.9842834472656 fieldStrength: 11.746350827011339 numberOfScans: 4 pulseSequence: noesygpphpp spectralWidth: 9.99735368826195,9.99735368826195 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 2350.610999997116,2350.610999997116 originFrequency: 500.132350611,500.132350611 pulseStrength90: 19516.003122560498 experimentNumber: 8 acquisitionScheme: States-TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 date: 2021-08-05T10:30:30.000Z isFt: true name: 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6/9 phc0: -131.9607 phc1: 36.23207 type: NMR Spectrum DECIM: 672 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.4 DSPFVS: 21 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 59.15921633519825 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 76 temperature: 298.1503 spectrumSize: 131072 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 512 pulseSequence: udeft spectralWidth: 236.636865340793 numberOfPoints: 5 relaxationTime: 4 acquisitionTime: 0.0000672 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 15384.615384615385 experimentNumber: 9 linearPredictionBin: 262144 lpNumberOfCoefficients: 4096 windowMultiplicationMode: 1 license_id=CC BY-NC-SA 4.0 Deed type=dataset owner_org=14e443f8-70e7-497d-9785-3727d79901ab creator_user_id=1be646ae-ab26-47b8-8835-e4b27f11961e metadata_created=2025-02-03 16:47:49.956614 metadata_modified=2025-02-03 16:47:49.956621 private=False state=active> |
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{'author': 'Offei SD, Arman HD, Yoshimoto FK.', 'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'doi': '10.57992/nmrxiv.p70.s556.d2936', 'id': 'nmrxiv-d2936', 'inchi': 'InChI=1S/C28H38N2O4/c1-18(31)33-21-11-14-28(17-30-26-6-4-5-15-29-26)20(16-21)7-8-22-23-9-10-25(34-19(2)32)27(23,3)13-12-24(22)28/h4-6,15,17,20-25H,7-14,16H2,1-3H3/b30-17+/t20-,21?,22?,23?,24?,25?,27?,28?/m0/s1', 'inchi_key': 'ZXYIUOWLVJXPKU-QJTFSOLLSA-N', 'isopen': False, 'language': 'english', 'license_id': 'CC BY-NC-SA 4.0 Deed', 'license_title': 'Attribution-NonCommercial-ShareAlike 4.0 International', 'license_url': 'https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode', 'maintainer_email': None, 'measurement_technique': 'heteronuclear multiple bond coherence', 'measurement_technique_iri': 'CHMO:0000601', 'metadata_created': '2025-02-03T16:47:49.956614', 'metadata_modified': '2025-02-03T16:47:49.956621', 'metadata_published': '2024-06-16 20:19:13', 'name': '6_sodxxi_049_full_c19_imine_d5_reduced_c3_c17_diacetate_08_04_2021-cp6-hmbc', 'notes': 'This dataset contains NMR spectra obtained for the sample -6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6 date: 2021-08-04T17:40:17.000Z isFt: true name: 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6/1 phc0: -52.08487 phc1: 41.25512 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.4 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 0.399893557690502 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298.1519 spectrumSize: 65536 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 8 pulseSequence: zg30 spectralWidth: 19.9946778845251 numberOfPoints: 51 relaxationTime: 1 acquisitionTime: 0.0025000000000021906 frequencyOffset: 3088.3019999805583 originFrequency: 500.133088302 pulseStrength90: 19516.003122560498 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2021-08-04T17:49:36.000Z isFt: true name: 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6/2 phc0: -124.4771 phc1: 26.67358 type: NMR Spectrum DECIM: 672 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.4 DSPFVS: 21 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 19.719738778399417 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 76 temperature: 298.1497 spectrumSize: 131072 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 96 pulseSequence: udeft spectralWidth: 236.636865340793 numberOfPoints: 13 relaxationTime: 4 acquisitionTime: 0.0002016 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 15384.615384615385 experimentNumber: 2 linearPredictionBin: 262144 lpNumberOfCoefficients: 4096 windowMultiplicationMode: 1 date: 2021-08-04T17:57:26.000Z isFt: false name: 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6/3 phc0: 0 phc1: 0 type: NMR FID DECIM: 672 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: dept groupDelay: 67.9838256835938 temperature: 298.1507 spectrumSize: 32768 baseFrequency: 125.757788526 digitalFilter: 67.9838256835938 fieldStrength: 11.743848641495527 numberOfScans: 128 pulseSequence: deptsp90 spectralWidth: 236.636865341416 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 15384.615384615385 experimentNumber: 3 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2021-08-04T18:00:19.000Z isFt: false name: 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6/4 phc0: 174.2729 phc1: 249.6 type: NMR FID DECIM: 992 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: dept groupDelay: 67.9840087890625 temperature: 298.1508 spectrumSize: 32768 baseFrequency: 125.757788526 digitalFilter: 67.9840087890625 fieldStrength: 11.743848641495527 numberOfScans: 32 pulseSequence: deptsp135 spectralWidth: 160.305598442561 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 10060.621999997466 originFrequency: 125.767849148 pulseStrength90: 15384.615384615385 experimentNumber: 4 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2021-08-04T18:01:08.000Z isFt: false name: 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6/5 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 3080 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: cosy groupDelay: 67.985595703125 temperature: 298.1513 spectrumSize: 1024,1024 baseFrequency: 500.13,500.13 digitalFilter: 67.985595703125 fieldStrength: 11.746350827011339 numberOfScans: 1 pulseSequence: cosygpppqf spectralWidth: 12.9835593399742,12.9835593399742 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 3000.779999979386,3000.779999979386 originFrequency: 500.13300078,500.13300078 pulseStrength90: 19516.003122560498 experimentNumber: 5 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2021-08-04T18:03:17.000Z isFt: false name: 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6/6 phc0: -159.3368,3.253899 phc1: -12.14621,0 type: NMR FID DECIM: 3080 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 21 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hsqc groupDelay: 76 temperature: 298.1476 spectrumSize: 2048,2048 baseFrequency: 500.13,125.757788526 digitalFilter: 76 fieldStrength: 11.746350827011339 numberOfScans: 2 pulseSequence: hsqcedetgpsisp2.3 spectralWidth: 12.983576218522,164.962602395549 numberOfPoints: 1 relaxationTime: 1.5 acquisitionTime: 0 frequencyOffset: 2350.610999997116,9431.835000000887 originFrequency: 500.132350611,125.767220361 pulseStrength90: 19516.003122560498 experimentNumber: 6 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 4,4 date: 2021-08-05T10:32:05.000Z isFt: false name: 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6/7 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 3080 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hmbc groupDelay: 67.985595703125 temperature: 298.1496 spectrumSize: 2048,1024 baseFrequency: 500.13,125.757788526 digitalFilter: 67.985595703125 fieldStrength: 11.746350827011339 numberOfScans: 4 pulseSequence: hmbcetgpl3nd spectralWidth: 12.9835658317182,239.487911911164 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 2750.714999990578,12575.779000002285 originFrequency: 500.132750715,125.770364305 pulseStrength90: 19516.003122560498 experimentNumber: 7 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,4 date: 2021-08-05T09:26:55.000Z isFt: false name: 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6/8 phc0: -44.21659,267.9648 phc1: 30.88338,-180 type: NMR FID DECIM: 4000 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: noesy groupDelay: 67.9842834472656 temperature: 298.1497 spectrumSize: 1024,1024 baseFrequency: 500.13,500.13 digitalFilter: 67.9842834472656 fieldStrength: 11.746350827011339 numberOfScans: 4 pulseSequence: noesygpphpp spectralWidth: 9.99735368826195,9.99735368826195 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 2350.610999997116,2350.610999997116 originFrequency: 500.132350611,500.132350611 pulseStrength90: 19516.003122560498 experimentNumber: 8 acquisitionScheme: States-TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 date: 2021-08-05T10:30:30.000Z isFt: true name: 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6/9 phc0: -131.9607 phc1: 36.23207 type: NMR Spectrum DECIM: 672 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.4 DSPFVS: 21 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 59.15921633519825 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 76 temperature: 298.1503 spectrumSize: 131072 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 512 pulseSequence: udeft spectralWidth: 236.636865340793 numberOfPoints: 5 relaxationTime: 4 acquisitionTime: 0.0000672 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 15384.615384615385 experimentNumber: 9 linearPredictionBin: 262144 lpNumberOfCoefficients: 4096 windowMultiplicationMode: 1', 'num_resources': 1, 'num_tags': 1, 'organization': {'id': '14e443f8-70e7-497d-9785-3727d79901ab', 'name': 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