Dataset

trans-abienol.

This dataset contains NMR spectra obtained for the sample -trans-abienol name: 1 phc0: -85.4743022044 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 499.901660352 spectralWidth: 16.02879355747261 numberOfPoints: 16384 frequencyOffset: 2999.447999968652 originFrequency: 499.9046598 name: 2 phc0: 32.1518864009 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 125.700372476 spectralWidth: 248.60705966457314 numberOfPoints: 32768 frequencyOffset: 13827.024000008238 originFrequency: 125.7141995

Chemical Information

molecular Image
InChI InChI=1S/C20H34O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,9,16-17,21H,1,8,10-14H2,2-6H3/b15-9+/t16?,17-,19-,20+/m0/s1
SMILES C=C/C(C)=C/C[C@H]1[C@@]2(C)CCCC(C)(C)C2CC[C@@]1(C)O
InChI Key ZAZVCYBIABTSJR-JAKVKNNWSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p75.s608.d3231
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D3231
Version
Author
Maintainer
Language english
MetadataPublished 2024-06-24 23:01:55
Related Molecule
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  • nfdi4chem-mol7004 (Unknown Molecule)
    • Field Value
    Measurement Technique
    Measurement Variables
    NMR solvent : cdcl3

    acquisition nucleus : 13C

    NMR spectrum by dimensionality : 1

    NMR probe :

    Temperature : 25 K

    magnetic field strength : Tesla

    number of scans : scans

    nuclear magnetic resonance pulse sequence :

    Spectral Width : 248.60705966457314

    number of data points : 32768 points

    relaxation time measurement : seconds

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