Dataset

TRANS-2-BENZYL-6-METHYLCYCLOHEXANONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002374 contains the MS mass spectrum of TRANS-2-BENZYL-6-METHYLCYCLOHEXANONE with the InChIkey RADVUEMOCLDJMY-YPMHNXCESA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H18O/c1-11-6-5-9-13(14(11)15)10-12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3/t11-,13+/m1/s1
SMILES CC(C2)C(=O)C(CC2)Cc(c1)cccc1
InChI Key RADVUEMOCLDJMY-YPMHNXCESA-N
Molecular Formula C14H18O
Exact Mass 202.136 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-JP002374
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (2S,6R)-2-benzyl-6-methylcyclohexan-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J221.297H Nikkaji
    90470852 PubChem
    The data in this table is sourced from UniChem at EBI.