Dataset

olindenone D (4)[HSQC]

This dataset contains NMR spectra obtained for the sample -olindenone D (4)date: 2016-11-04T14:34:51.000ZisFt: falsename: olindenone D (4)/0phc0: 43.67576phc1: 24.29825type: NMR FIDDECIM: 16aqMod: 3isFid: truetdOff: 0title: Parameter file, TOPSPIN Version 1.3DSPFVS: 12nucleus: 1Hreverse: falsesolvent: MeODdimension: 1increment: 0.00005879999999999994isComplex: trueprobeName: 5 mm BBI 1H-BB-D Z-GRD Z8107/170experiment: 1dgroupDelay: -1temperature: 296spectrumSize: 32768baseFrequency: 500.13digitalFilter: 71.625fieldStrength: 11.746350827011339numberOfScans: 128pulseSequence: zgspectralWidth: 17.0022630859004numberOfPoints: 65536relaxationTime: 1acquisitionTime: 3.853457999999996frequencyOffset: 3500.910000013846originFrequency: 500.13350091pulseStrength90: 30303.030303030304experimentNumber: 0acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1date: 2016-11-04T14:34:51.000ZisFt: truename: olindenone D (4)/0phc0: 43.67576phc1: 24.29825type: NMR SpectrumDECIM: 16aqMod: 3isFid: falsetdOff: 0title: Parameter file, TOPSPIN Version 1.3DSPFVS: 12nucleus: 1Hreverse: falsesolvent: MeODdimension: 1increment: 0.00025943790472114745isComplex: trueprobeName: 5 mm BBI 1H-BB-D Z-GRD Z8107/170experiment: 1dgroupDelay: -1temperature: 296spectrumSize: 32768baseFrequency: 500.13fieldStrength: 11.746350827011339numberOfScans: 128pulseSequence: zgspectralWidth: 17.0022630859004numberOfPoints: 65536relaxationTime: 1acquisitionTime: 3.853457999999996frequencyOffset: 3500.910000013846originFrequency: 500.13350091pulseStrength90: 30303.030303030304experimentNumber: 0acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1isFt: falsename: olindenone D (4)/0phc0: 0,0phc1: 0,0type: NMR FIDDECIM: 24,1aqMod: 3,2isFid: truetdOff: 0,0title: Parameter file, TOPSPIN Version 1.3DSPFVS: 12,0nucleus: 1H,1Hreverse: false,falsesolvent: MeODdimension: 2increment: 0.0000689999999999998,0.0005538941176470571isComplex: trueprobeName: 5 mm BBI 1H-BB-D Z-GRD Z8107/170,experiment: cosygroupDelay: -1,-1temperature: 296.9,300spectrumSize: 1024,1024baseFrequency: 500.13,500.13digitalFilter: 70.16666666666667fieldStrength: 11.746350827011339numberOfScans: 12,16pulseSequence: cosygpqf,mlevtpspectralWidth: 14.4888981170834,14.4888981170834numberOfPoints: 2048,256relaxationTime: 1acquisitionTime: 0.14124299999999956frequencyOffset: 3050.3560000170182,3050.3560000170182originFrequency: 500.133050356,500.133050356pulseStrength90: 30303.030303030304experimentNumber: 0acquisitionScheme: notPhaseSensitivelinearPredictionBin: 0,512lpNumberOfCoefficients: 0,32windowMultiplicationMode: 3,3isFt: truename: olindenone D (4)/0phc0: 0,0phc1: 0,0type: NMR SpectrumDECIM: 24,1aqMod: 3,2isFid: falsetdOff: 0,0title: Parameter file, TOPSPIN Version 1.3DSPFVS: 12,0nucleus: 1H,1Hreverse: false,falsesolvent: MeODdimension: 2increment: 0.0070781133937876895,0.056819208302287844isComplex: falseprobeName: 5 mm BBI 1H-BB-D Z-GRD Z8107/170,experiment: cosygroupDelay: -1,-1temperature: 296.9,300spectrumSize: 1024,1024baseFrequency: 500.13,500.13fieldStrength: 11.746350827011339numberOfScans: 12,16pulseSequence: cosygpqf,mlevtpspectralWidth: 14.4888981170834,14.4888981170834numberOfPoints: 2048,256relaxationTime: 1acquisitionTime: 0.14124299999999956frequencyOffset: 3050.3560000170182,3050.3560000170182originFrequency: 500.133050356,500.133050356pulseStrength90: 30303.030303030304experimentNumber: 0acquisitionScheme: notPhaseSensitivelinearPredictionBin: 0,512lpNumberOfCoefficients: 0,32windowMultiplicationMode: 3,3isFt: falsename: olindenone D (4)/0phc0: 0,0phc1: 0,0type: NMR FIDDECIM: 24,1aqMod: 3,2isFid: truetdOff: 0,0title: Parameter file, TOPSPIN Version 1.3DSPFVS: 12,0nucleus: 1H,13Creverse: false,falsesolvent: MeODdimension: 2increment: 0.00006899999999999978,0.0008857523510971759isComplex: trueprobeName: 5 mm BBI 1H-BB-D Z-GRD Z8107/170,09experiment: hmbcgroupDelay: -1,-1temperature: 299.4,300spectrumSize: 2048,1024baseFrequency: 500.13,125.757789digitalFilter: 70.16666666666667fieldStrength: 11.746350827011339numberOfScans: 64,16pulseSequence: hmbcgplpndqf,spectralWidth: 14.4888981170834,250.031444696677numberOfPoints: 4096,320relaxationTime: 1acquisitionTime: 0.2825549999999991frequencyOffset: 3050.3560000170182,12555.280705001336originFrequency: 500.133050356,125.770344280705pulseStrength90: 30303.030303030304experimentNumber: 0acquisitionScheme: notPhaseSensitivelinearPredictionBin: 0,640lpNumberOfCoefficients: 0,32windowMultiplicationMode: 3,3isFt: truename: olindenone D (4)/0phc0: 0,0phc1: 0,0type: NMR SpectrumDECIM: 24,1aqMod: 3,2isFid: falsetdOff: 0,0title: Parameter file, TOPSPIN Version 1.3DSPFVS: 12,0nucleus: 1H,13Creverse: false,falsesolvent: MeODdimension: 2increment: 0.0035381924583842246,0.7837976322779843isComplex: falseprobeName: 5 mm BBI 1H-BB-D Z-GRD Z8107/170,09experiment: hmbcgroupDelay: -1,-1temperature: 299.4,300spectrumSize: 2048,1024baseFrequency: 500.13,125.757789fieldStrength: 11.746350827011339numberOfScans: 64,16pulseSequence: hmbcgplpndqf,spectralWidth: 14.4888981170834,250.031444696677numberOfPoints: 4096,320relaxationTime: 1acquisitionTime: 0.2825549999999991frequencyOffset: 3050.3560000170182,12555.280705001336originFrequency: 500.133050356,125.770344280705pulseStrength90: 30303.030303030304experimentNumber: 0acquisitionScheme: notPhaseSensitivelinearPredictionBin: 0,640lpNumberOfCoefficients: 0,32windowMultiplicationMode: 3,3isFt: truename: olindenone D (4)/0phc0: 79.475,0phc1: 0,0type: NMR SpectrumDECIM: 24,1aqMod: 3,2isFid: falsetdOff: 0,0title: Parameter file, TOPSPIN Version 1.3DSPFVS: 12,0nucleus: 1H,13Creverse: false,falsesolvent: MeODdimension: 2increment: 0.0035381924583842246,2.998190322304233isComplex: falseprobeName: 5 mm BBI 1H-BB-D Z-GRD Z8107/170,09experiment: hsqcgroupDelay: -1,-1temperature: 296.2,300spectrumSize: 1024,1024baseFrequency: 500.13,125.757789fieldStrength: 11.746350827011339numberOfScans: 64,16pulseSequence: hsqcetgpsi,hxcospectralWidth: 14.4888981170834,179.891419338254numberOfPoints: 4096,61relaxationTime: 1acquisitionTime: 0.2825549999999991frequencyOffset: 3050.3560000170182,9379.17492599638originFrequency: 500.133050356,125.767168174926pulseStrength90: 30303.030303030304experimentNumber: 0acquisitionScheme: Echo-antiecholinearPredictionBin: 0,60lpNumberOfCoefficients: 0,30windowMultiplicationMode: 4,4

Chemical Information

molecular Image
InChI InChI=1S/C15H22O3/c1-9-5-11(17)6-12-10(2)15(4,8-16)13(18)7-14(9,12)3/h5,10,12,16H,6-8H2,1-4H3/t10-,12+,14-,15-/m1/s1
SMILES CC1=CC(=O)C[C@H]2[C@@H](C)[C@@](C)(CO)C(=O)C[C@]12C
InChI Key TXGYADVIRXCMHB-DZGBDDFRSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p20.s92.d529
License URL
Source https://nmrxiv.org/D529
Version
Author Fernanda O. Chagas, Leandro M. Garrido, Raphael Conti, Ricardo M. Borges, Vincent A. Bielinski, Gabriel Padilla, Mônica T. Pupo
Maintainer
Language english
MetadataPublished 2023-12-21T09:36:15.000000Z
Related Molecule
  • nfdi4chem-mol7902 (Unknown Molecule)
    • Field Value
    Measurement Technique heteronuclear single quantum coherence
    Measurement Variables
    NMR solvent : MeOD

    acquisition nucleus : ['1H', '13C']

    NMR spectrum by dimensionality : 2

    NMR probe : ['5 mm BBI 1H-BB-D Z-GRD Z8107/170', '09']

    Temperature : [296.2, 300] K

    magnetic field strength : 11.746350827011339 Tesla

    number of scans : [64, 16] scans

    nuclear magnetic resonance pulse sequence : ['hsqcetgpsi', 'hxco']

    Spectral Width : [14.4888981170834, 179.891419338254]

    number of data points : [4096, 61] points

    relaxation time measurement : 1 seconds

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.