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3-(4-Methylphenyl)-1-cyclohexanone
SpectraBase Compound ID Ei4v8nGRzOs
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
InChIKey FRQUGZXADTWFGO-UHFFFAOYSA-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 vb0JSzTjVT
Name 3-(4-Methylphenyl)-1-cyclohexanone
Alternate Name(s) 3-(4-Tolyl)cyclohexanone 3-(p-tolyl)cyclohexanone 3-(4-Methylphenyl)cyclohexanone 3-(4-Methylphenyl)cyclohexan-1-one
CAS Registry Number 99495-15-5
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
InChIKey FRQUGZXADTWFGO-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol071067v
Molecular Weight 188.270 g/mol
SMILES c1cc(ccc1C1CCCC(C1)=O)C
SPLASH splash10-001u-3900000000-279a37fcd646ccd5d6b7
Source of Spectrum A1-9-2737/SMS2-5
Wiley ID 1758299