Dataset

cis-abienol[1]

This dataset contains NMR spectra obtained for the sample -cis-abienol name: 1 phc0: -168.290070587 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 499.695769678 spectralWidth: 16.035397934193835 numberOfPoints: 16384 frequencyOffset: 2998.222000030637 originFrequency: 499.6987679 name: 2 phc0: 20.596279039 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 125.648601225 spectralWidth: 248.70949374152096 numberOfPoints: 32768 frequencyOffset: 13821.375000006243 originFrequency: 125.6624226

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-/m1/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-BUMOLROVSA-N
Exact Mass 290.500 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p75.s610.d3234
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D3234
Version
Author
Maintainer
Language english
MetadataPublished 2024-06-24T23:01:55.000000Z
Related Molecule
  • (1R,2R,8aS)-2,5,5,8a-tetramethyl-1-[(2Z)-3-methylpenta-2,4-dienyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
  • (1R,2R,8aS)-2,5,5,8a-tetramethyl-1-[(2Z)-3-methylpenta-2,4-dienyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
    • Field Value
    Measurement Technique
    Measurement Variables
    NMR solvent : cdcl3

    acquisition nucleus : ['1H']

    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 : 16.035397934193835

    number of data points : 16384 points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    SCHEMBL15220009 SureChEMBL
    16218516 PubChem: Thomson Pharma
    11140835 PubChem
    60004205 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.