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2-Methyl-2-(phenylthio)-5-(1-methylethenyl)cyclohexanone

View entire compound with spectra: 1 MS (GC)

2-Methyl-2-(phenylthio)-5-(1-methylethenyl)cyclohexanone
SpectraBase Compound ID Dp9yMeSPgPN
InChI InChI=1S/C16H20OS/c1-12(2)13-9-10-16(3,15(17)11-13)18-14-7-5-4-6-8-14/h4-8,13H,1,9-11H2,2-3H3
InChIKey CGIHCWSLYUYILW-UHFFFAOYSA-N
Mol Weight 260.39 g/mol
Molecular Formula C16H20OS
Exact Mass 260.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5YgvDoB2Aw4
Name 2-Methyl-2-(phenylthio)-5-(1-methylethenyl)cyclohexanone
Alternate Name(s) 5-isopropenyl-2-methyl-2-(phenylsulfanyl)cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20OS
InChI InChI=1S/C16H20OS/c1-12(2)13-9-10-16(3,15(17)11-13)18-14-7-5-4-6-8-14/h4-8,13H,1,9-11H2,2-3H3
InChIKey CGIHCWSLYUYILW-UHFFFAOYSA-N
Molecular Weight 260.395 g/mol
SMILES C1(C(CC(CC1)C(=C)C)=O)(Sc1ccccc1)C
SPLASH splash10-03di-0090000000-86497dca0ffa8a54263a
Source of Spectrum J-56-5226-11
Wiley ID 1263968