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3-p-Tolylcyclohexanone
SpectraBase Compound ID mzRCeiG7bp
InChI InChI=1S/C13H16O/c1-10-5-7-11(8-6-10)12-3-2-4-13(14)9-12/h5-8,12H,2-4,9H2,1H3/t12-/m0/s1
InChIKey FRQUGZXADTWFGO-LBPRGKRZSA-N
Mol Weight 188.27 g/mol
Molecular Formula C13H16O
Exact Mass 188.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID fuxTPq3Or
Name 3-p-Tolylcyclohexanone
Alternate Name(s) (S)-3-(p-tolyl)cyclohexanone (3S)-3-(4-methylphenyl)-1-cyclohexanone (3S)-3-(4-methylphenyl)cyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O
InChI InChI=1S/C13H16O/c1-10-5-7-11(8-6-10)12-3-2-4-13(14)9-12/h5-8,12H,2-4,9H2,1H3/t12-/m0/s1
InChIKey FRQUGZXADTWFGO-LBPRGKRZSA-N
Molecular Weight 188.270 g/mol
SMILES c1([C@@]2(CC(CCC2)=O)[H])ccc(cc1)C
SPLASH splash10-001r-0900000000-6e46ef9aa268a3fafac8
Source of Spectrum A1-10-4101/SMS6-9ac
Wiley ID 1759837