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2-Methyl-2-(phenylthiomethyl)-1-cycohexanone
SpectraBase Compound ID 5TdX9cSo2jt
InChI InChI=1S/C14H18OS/c1-14(10-6-5-9-13(14)15)11-16-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3
InChIKey GPRCSSOKPVJSFC-UHFFFAOYSA-N
Mol Weight 234.36 g/mol
Molecular Formula C14H18OS
Exact Mass 234.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2BCxh1O6IGL
Name 2-Methyl-2-(phenylthiomethyl)-1-cycohexanone
Comments Less than 3 mono-isotopic peaks
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Formula C14H18OS
InChI InChI=1S/C14H18OS/c1-14(10-6-5-9-13(14)15)11-16-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3
InChIKey GPRCSSOKPVJSFC-UHFFFAOYSA-N
Molecular Weight 234.357 g/mol
SMILES C1(C(=O)CCCC1)(CSc1ccccc1)C
SPLASH splash10-004i-0950000000-f6b63063bd5fc723ca42
Source of Spectrum U-1993-51-2
Synonyms 2-Methyl-2-(phenylthiomethyl)-1-cyclohexanone 2-methyl-2-[(phenylsulfanyl)methyl]cyclohexanone 2-methyl-2-[(phenylthio)methyl]-1-cyclohexanone 2-methyl-2-(phenylsulfanylmethyl)cyclohexanone 2-methyl-2-(phenylsulfanylmethyl)cyclohexan-1-one
Wiley ID 764797