Dataset

VS-20221016-Crude Yeast Extract-Peak 2.1d

This dataset contains NMR spectra obtained for the sample -VS-20221016-Crude Yeast Extract-Peak 2 date: 2022-10-19T09:02:51.000Z isFt: false name: VS-20221016-Crude Yeast Extract-Peak 2/10 phc0: -72.81282 phc1: 3.281643 type: NMR FID DECIM: 2800 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.0.9 DSPFVS: 21 nucleus: 1H reverse: false solvent: MeOD dimension: 1 increment: 0.0000700000000000001 isComplex: true probeName: Z168379_0001 (CP2.1 TCI 500S2 H-C/N-D-05 Z XT) experiment: 1d groupDelay: 76 temperature: 299.9972 spectrumSize: 65536 baseFrequency: 500.13 digitalFilter: 76 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 14.2819152739716 numberOfPoints: 13 relaxationTime: 1 acquisitionTime: 0.0008400000000000012 frequencyOffset: 3000.779999979386 originFrequency: 500.13300078 pulseStrength90: 31250 experimentNumber: 10 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-10-19T09:02:51.000Z isFt: true name: VS-20221016-Crude Yeast Extract-Peak 2/10 phc0: -72.81282 phc1: 3.281643 type: NMR Spectrum DECIM: 2800 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.9 DSPFVS: 21 nucleus: 1H reverse: false solvent: MeOD dimension: 1 increment: 1.1901596061643 isComplex: true probeName: Z168379_0001 (CP2.1 TCI 500S2 H-C/N-D-05 Z XT) experiment: 1d groupDelay: 76 temperature: 299.9972 spectrumSize: 65536 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 14.2819152739716 numberOfPoints: 13 relaxationTime: 1 acquisitionTime: 0.0008400000000000012 frequencyOffset: 3000.779999979386 originFrequency: 500.13300078 pulseStrength90: 31250 experimentNumber: 10 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1

Chemical Information

molecular Image
InChI InChI=1S/C20H30O3/c1-5-16(2)11-12-20-18(4)9-6-8-17(3,15(21)22)14(18)7-10-19(20,13-16)23-20/h5,14H,1,6-13H2,2-4H3,(H,21,22)
SMILES C=CC1(C)CCC23OC2(CCC2C(C)(C(=O)O)CCCC23C)C1
InChI Key QHVLNCFNQKKAPJ-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p56.s311.d1808
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1808
Version
Author Bathe U, Schmidt J, Frolov A, Soboleva A, Frank O, Dawid C, Tissier A.
Maintainer
Language english
MetadataPublished 2024-01-18 15:58:23
Related Molecule
  • nfdi4chem-mol3078 (Unknown Molecule)
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    NMR solvent : MeOD

    acquisition nucleus : 1H

    NMR spectrum by dimensionality : 1

    NMR probe : Z168379_0001 (CP2.1 TCI 500S2 H-C/N-D-05 Z XT)

    Temperature : 299.9972 K

    magnetic field strength : 11.746350827011339 Tesla

    number of scans : 16 scans

    nuclear magnetic resonance pulse sequence : zg30

    Spectral Width : 14.2819152739716

    number of data points : 13 points

    relaxation time measurement : 1 seconds

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