Dataset

neo-cleroda-4(18),13E-diene-15-ol[2]

This dataset contains NMR spectra obtained for the sample -neo-cleroda-4(18),13E-diene-15-ol name: 1 phc0: -25.9965672111 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: 44.8117907206 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/c1-15(11-14-21)9-12-19(4)17(3)10-13-20(5)16(2)7-6-8-18(19)20/h11,17-18,21H,2,6-10,12-14H2,1,3-5H3/b15-11+/t17-,18-,19+,20+/m1/s1
SMILES C=C1CCC[C@@H]2[C@@](C)(CC/C(C)=C/CO)[C@H](C)CC[C@@]12C
InChI Key YMTCQCWFYXOJRY-UUMJGGROSA-N
Exact Mass 290.500 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p75.s606.d3227
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D3227
Version
Author
Maintainer
Language english
MetadataPublished 2024-06-24T23:01:55.000000Z
Related Molecule
  • (E)-5-[(1S,2R,4aR,8aR)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-methylpent-2-en-1-ol
  • (E)-5-[(1S,2R,4aR,8aR)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-methylpent-2-en-1-ol
    • 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 : 248.70949374152096

    number of data points : 32768 points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    162888209 PubChem
    60004203 NMRShiftDB
    ZINC000013401838 ZINC
    The data in this table is sourced from UniChem at EBI.