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2-(p-Methylphenylthio)cyclohexanone
SpectraBase Compound ID Bvo3obvgbME
InChI InChI=1S/C13H16OS/c1-10-6-8-11(9-7-10)15-13-5-3-2-4-12(13)14/h6-9,13H,2-5H2,1H3
InChIKey CCMKGSGLTJNGRY-UHFFFAOYSA-N
Mol Weight 220.33 g/mol
Molecular Formula C13H16OS
Exact Mass 220.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AWCvZNl7Ubo
Name 2-(p-Methylphenylthio)cyclohexanone
Comments Less than 3 mono-isotopic peaks
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Formula C13H16OS
InChI InChI=1S/C13H16OS/c1-10-6-8-11(9-7-10)15-13-5-3-2-4-12(13)14/h6-9,13H,2-5H2,1H3
InChIKey CCMKGSGLTJNGRY-UHFFFAOYSA-N
Molecular Weight 220.330 g/mol
SMILES C1(Sc2ccc(cc2)C)C(=O)CCCC1
SPLASH splash10-00di-0790000000-ca0df8f37e49b7fa2ab3
Source of Spectrum E1-58-1351-0
Synonyms 2-[(4-methylphenyl)thio]-1-cyclohexanone 2-(p-tolylsulfanyl)cyclohexanone 2-(4-methylphenyl)sulfanylcyclohexan-1-one
Wiley ID 1661944