Dataset

olindenone C (3).1d

This dataset contains NMR spectra obtained for the sample -olindenone C (3)date: 2016-11-04T14:04:11.000ZisFt: falsename: olindenone C (3)/0phc0: 32.68915phc1: 23.84799type: 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: 295.9spectrumSize: 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: 2016-11-04T14:04:11.000ZisFt: truename: olindenone C (3)/0phc0: 32.68915phc1: 23.84799type: 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: 295.9spectrumSize: 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 C (3)/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: 0.0000726,0.0005827929411764706isComplex: trueprobeName: 5 mm BBI 1H-BB-D Z-GRD Z8107/170,experiment: cosygroupDelay: -1,-1temperature: 296.1,300spectrumSize: 1024,1024baseFrequency: 500.13,500.13digitalFilter: 70.16666666666667fieldStrength: 11.746350827011339numberOfScans: 12,16pulseSequence: cosygpqf,mlevtpspectralWidth: 13.7704476409042,13.7704476409042numberOfPoints: 2048,256relaxationTime: 1acquisitionTime: 0.1486122frequencyOffset: 2785.8899999841924,2785.8899999841924originFrequency: 500.13278589,500.13278589pulseStrength90: 30303.030303030304experimentNumber: 0acquisitionScheme: notPhaseSensitivelinearPredictionBin: 0,512lpNumberOfCoefficients: 0,32windowMultiplicationMode: 3,3isFt: truename: olindenone C (3)/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: 0.006727136121594627,0.054001755454526276isComplex: falseprobeName: 5 mm BBI 1H-BB-D Z-GRD Z8107/170,experiment: cosygroupDelay: -1,-1temperature: 296.1,300spectrumSize: 1024,1024baseFrequency: 500.13,500.13fieldStrength: 11.746350827011339numberOfScans: 12,16pulseSequence: cosygpqf,mlevtpspectralWidth: 13.7704476409042,13.7704476409042numberOfPoints: 2048,256relaxationTime: 1acquisitionTime: 0.1486122frequencyOffset: 2785.8899999841924,2785.8899999841924originFrequency: 500.13278589,500.13278589pulseStrength90: 30303.030303030304experimentNumber: 0acquisitionScheme: notPhaseSensitivelinearPredictionBin: 0,512lpNumberOfCoefficients: 0,32windowMultiplicationMode: 3,3isFt: truename: olindenone C (3)/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: 0.0030593429727277413,1.0505522886415isComplex: falseprobeName: 5 mm BBI 1H-BB-D Z-GRD Z8107/170,09experiment: hmbcgroupDelay: -1,-1temperature: 299.9,300spectrumSize: 2048,1024baseFrequency: 500.13,125.757789fieldStrength: 11.746350827011339numberOfScans: 32,16pulseSequence: hmbcgplpndqf,spectralWidth: 12.5280094733201,250.031444696677numberOfPoints: 4096,239relaxationTime: 0.9acquisitionTime: 0.32678099999999916frequencyOffset: 2457.0950000111225,12555.280705001336originFrequency: 500.132457095,125.770344280705pulseStrength90: 30303.030303030304experimentNumber: 0acquisitionScheme: notPhaseSensitivelinearPredictionBin: 0,478lpNumberOfCoefficients: 0,32windowMultiplicationMode: 3,3isFt: falsename: olindenone C (3)/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: 0.0000797999999999998,0.0012814941176470555isComplex: trueprobeName: 5 mm BBI 1H-BB-D Z-GRD Z8107/170,09experiment: hsqcgroupDelay: -1,-1temperature: 296.3,300spectrumSize: 1024,1024baseFrequency: 500.13,125.757789digitalFilter: 70.16666666666667fieldStrength: 11.746350827011339numberOfScans: 16,16pulseSequence: hsqcetgpsi,hxcospectralWidth: 12.5280094733201,179.891419338254numberOfPoints: 4096,256relaxationTime: 1acquisitionTime: 0.32678099999999916frequencyOffset: 2457.0950000111225,9379.17492599638originFrequency: 500.132457095,125.767168174926pulseStrength90: 30303.030303030304experimentNumber: 0acquisitionScheme: Echo-antiecholinearPredictionBin: 0,512lpNumberOfCoefficients: 0,32windowMultiplicationMode: 4,4isFt: truename: olindenone C (3)/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: 0.0030593429727277413,0.7054565464245255isComplex: falseprobeName: 5 mm BBI 1H-BB-D Z-GRD Z8107/170,09experiment: hsqcgroupDelay: -1,-1temperature: 296.3,300spectrumSize: 1024,1024baseFrequency: 500.13,125.757789fieldStrength: 11.746350827011339numberOfScans: 16,16pulseSequence: hsqcetgpsi,hxcospectralWidth: 12.5280094733201,179.891419338254numberOfPoints: 4096,256relaxationTime: 1acquisitionTime: 0.32678099999999916frequencyOffset: 2457.0950000111225,9379.17492599638originFrequency: 500.132457095,125.767168174926pulseStrength90: 30303.030303030304experimentNumber: 0acquisitionScheme: Echo-antiecholinearPredictionBin: 0,512lpNumberOfCoefficients: 0,32windowMultiplicationMode: 4,4

Chemical Info

molecular Image
InChI InChI=1S/C15H24O3/c1-9-5-11(17)6-12-10(2)15(4,8-16)13(18)7-14(9,12)3/h5,10,12-13,16,18H,6-8H2,1-4H3/t10-,12+,13+,14-,15-/m1/s1
SMILES CC1=CC(=O)C[C@H]2[C@@H](C)[C@@](C)(CO)[C@@H](O)C[C@]12C
InChI Key JHHPZZOPSBNJGF-BGNCJLHMSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p20.s95.d541
License URL
Source https://nmrxiv.org/D541
Version
Author Fernanda O. Chagas, Leandro M. Garrido, Raphael Conti, Ricardo M. Borges, Vincent A. Bielinski, Gabriel Padilla, Mônica T. Pupo
Maintainer
Language english
MetadataCreated 2024-04-22T15:37:53.582014
MetadataModified 2024-09-23T09:28:28.441135
MetadataPublished 2023-12-21 09:36:15
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
NMR solvent : MeOD

acquisition nucleus : ['1H']

NMR spectrum by dimensionality : 1

NMR probe : 5 mm BBI 1H-BB-D Z-GRD Z8107/170

Temperature : 295.9 K

magnetic field strength : 11.746350827011339 Tesla

number of scans : 128 scans

nuclear magnetic resonance pulse sequence : zg

Spectral Width : 17.0022630859004

number of data points : 65536 points

relaxation time measurement : 1 seconds

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