Dataset

neo-cleroda-4(18),14-dien-13-ol[1]

This dataset contains NMR spectra obtained for the sample -neo-cleroda-4(18),14-dien-13-ol name: 1 phc0: 85.4077230893 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: -18.6431884766 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/c1-7-18(4,21)13-14-20(6)16(3)11-12-19(5)15(2)9-8-10-17(19)20/h7,16-17,21H,1-2,8-14H2,3-6H3/t16-,17?,18?,19+,20+/m1/s1
SMILES C=CC(C)(O)CC[C@]1(C)C2CCCC(=C)[C@]2(C)CC[C@H]1C
InChI Key VRKPTRXBPBHQJB-ZCOZCJCESA-N
Exact Mass 290.500 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p75.s607.d3228
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D3228
Version
Author
Maintainer
Language english
MetadataPublished 2024-06-24T23:01:55.000000Z
Related Molecule
  • 5-[(1S,2R,4aR)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-methylpent-1-en-3-ol
  • 5-[(1S,2R,4aR)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-methylpent-1-en-3-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
    166035423 PubChem
    60004204 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.