Dataset

(1R,2S,5R)-5-METHYL-2-(1-METHYL-1-(2'-NAPHTHYL)ETHYL)-CYCLOHEXANOL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006362 contains the MS mass spectrum of (1R,2S,5R)-5-METHYL-2-(1-METHYL-1-(2'-NAPHTHYL)ETHYL)-CYCLOHEXANOL with the InChIkey AKVNKXYVBBUSEZ-NIKGAXFTSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H26O/c1-14-8-11-18(19(21)12-14)20(2,3)17-10-9-15-6-4-5-7-16(15)13-17/h4-7,9-10,13-14,18-19,21H,8,11-12H2,1-3H3/t14-,18-,19-/m1/s1
SMILES [H]C(C)(C3)CC([H])(O)C([H])(C3)C(C)(C)c(c1)cc(c2)c(ccc2)c1
InChI Key AKVNKXYVBBUSEZ-NIKGAXFTSA-N
Molecular Formula C20H26O
Exact Mass 282.198 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP006362
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Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (1R,2S,5R)-5-methyl-2-(2-naphthalen-2-ylpropan-2-yl)cyclohexan-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J184.248J Nikkaji
    16121839 PubChem: Thomson Pharma
    11055131 PubChem
    The data in this table is sourced from UniChem at EBI.