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trans-Benzoyl-3-methylcyclohexane
SpectraBase Compound ID GFbVzHnNGnB
InChI InChI=1S/C14H18O/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3/t11-,13-/m0/s1
InChIKey LWLBEVLROBPJDQ-AAEUAGOBSA-N
Mol Weight 202.3 g/mol
Molecular Formula C14H18O
Exact Mass 202.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID x90SPuUjdS
Name trans-Benzoyl-3-methylcyclohexane
Alternate Name(s) [(1S,2S)-2-methylcyclohexyl](phenyl)methanone [(1S,2S)-2-methylcyclohexyl]-phenylmethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O
InChI InChI=1S/C14H18O/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3/t11-,13-/m0/s1
InChIKey LWLBEVLROBPJDQ-AAEUAGOBSA-N
Molecular Weight 202.297 g/mol
SMILES C([C@@]1([C@@](C)(CCCC1)[H])[H])(=O)c1ccccc1
SPLASH splash10-0a4i-2920000000-401134d48be4fd5208d1
Source of Spectrum KC-0-868-12
Wiley ID 828140