Dataset

(1R,2S,5R)-5-METHYL-2-(1-METHYL-1-(4-METHOXYPHENYL)ETHYL)-CYCLOHEXANOL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006366 contains the MS mass spectrum of (1R,2S,5R)-5-METHYL-2-(1-METHYL-1-(4-METHOXYPHENYL)ETHYL)-CYCLOHEXANOL with the InChIkey TYFKWJZQXPHTGK-DAXOMENPSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H26O2/c1-12-5-10-15(16(18)11-12)17(2,3)13-6-8-14(19-4)9-7-13/h6-9,12,15-16,18H,5,10-11H2,1-4H3/t12-,15-,16-/m1/s1
SMILES COc(c2)ccc(c2)C(C)(C)C([H])(C1)C([H])(O)CC([H])(C)C1
InChI Key TYFKWJZQXPHTGK-DAXOMENPSA-N
Molecular Formula C17H26O2
Exact Mass 262.193 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-JP006366
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (1R,2S,5R)-2-[2-(4-methoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    28175304 surechembl
    12860620 pubchem
    The data in this table is sourced from UniChem at EBI.