Dataset

labda-7,12E,14-triene[2]

This dataset contains NMR spectra obtained for the sample -labda-7,12E,14-triene name: 1 phc0: 88.1841379015 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: -21.5771909926 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/C20H32/c1-7-15(2)9-11-17-16(3)10-12-18-19(4,5)13-8-14-20(17,18)6/h7,9-10,17-18H,1,8,11-14H2,2-6H3/b15-9+/t17-,18?,20+/m0/s1
SMILES C=C/C(C)=C/C[C@H]1C(C)=CCC2C(C)(C)CCC[C@@]21C
InChI Key AAWKCAAKYFTATH-STJFUXCQSA-N
Exact Mass 272.500 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p75.s611.d3237
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D3237
Version
Author
Maintainer
Language english
MetadataPublished 2024-06-24T23:01:55.000000Z
Related Molecule
  • (8S,8aS)-4,4,7,8a-tetramethyl-8-[(2E)-3-methylpenta-2,4-dienyl]-1,2,3,4a,5,8-hexahydronaphthalene
  • (8S,8aS)-4,4,7,8a-tetramethyl-8-[(2E)-3-methylpenta-2,4-dienyl]-1,2,3,4a,5,8-hexahydronaphthalene
    • 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
    60004200 NMRShiftDB
    15666996 PubChem: Thomson Pharma
    5318908 PubChem
    The data in this table is sourced from UniChem at EBI.