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3-(4-Methylphenyl)-1-cyclohex-2-enone
SpectraBase Compound ID F5I04ZO6kz8
InChI InChI=1S/C13H14O/c1-10-5-7-11(8-6-10)12-3-2-4-13(14)9-12/h5-9H,2-4H2,1H3
InChIKey RBOQSOBLPPMHSJ-UHFFFAOYSA-N
Mol Weight 186.25 g/mol
Molecular Formula C13H14O
Exact Mass 186.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9e5uLGS3OGU
Name 3-(4-Methylphenyl)-1-cyclohex-2-enone
Alternate Name(s) 3-(4-Methylphenyl)cyclohex-2-en-1-one 3-p-Tolylcyclohex-2-enone 3-(p-tolyl)cyclohex-2-en-1-one 4'-methyl-5,6-dihydro-[1,1'-biphenyl]-3(4H)-one
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Formula C13H14O
InChI InChI=1S/C13H14O/c1-10-5-7-11(8-6-10)12-3-2-4-13(14)9-12/h5-9H,2-4H2,1H3
InChIKey RBOQSOBLPPMHSJ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol7023289
Molecular Weight 186.254 g/mol
SMILES C1CCC(=CC1=O)c1ccc(cc1)C
SPLASH splash10-0apr-0900000000-a5f989dfbf86977d344f
Source of Spectrum A1-9-5111/SMS8-3c
Wiley ID 1758827