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.alpha.-(Cyclohexylthio)butyrophenone
SpectraBase Compound ID 8rbQa5TC5ZQ
InChI InChI=1S/C16H22OS/c1-2-15(18-14-11-7-4-8-12-14)16(17)13-9-5-3-6-10-13/h3,5-6,9-10,14-15H,2,4,7-8,11-12H2,1H3
InChIKey WIWCZOOGBMUVGC-UHFFFAOYSA-N
Mol Weight 262.41 g/mol
Molecular Formula C16H22OS
Exact Mass 262.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2anLllHiwxT
Name .alpha.-(Cyclohexylthio)butyrophenone
Comments Less than 3 mono-isotopic peaks
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Formula C16H22OS
InChI InChI=1S/C16H22OS/c1-2-15(18-14-11-7-4-8-12-14)16(17)13-9-5-3-6-10-13/h3,5-6,9-10,14-15H,2,4,7-8,11-12H2,1H3
InChIKey WIWCZOOGBMUVGC-UHFFFAOYSA-N
Molecular Weight 262.411 g/mol
SMILES C(C(SC1CCCCC1)CC)(=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-fafe1732ca8476b44368
Source of Spectrum E1-58-1351-0
Synonyms 2-(cyclohexylthio)-1-phenyl-1-butanone 2-cyclohexylsulfanyl-1-phenylbutan-1-one 2-cyclohexylsulfanyl-1-phenyl-butan-1-one
Wiley ID 1661951