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4-methyl-2-(phenylsulfanyl)cyclohexanone
SpectraBase Compound ID 7EBYCACkhw2
InChI InChI=1S/C13H16OS/c1-10-7-8-12(14)13(9-10)15-11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3
InChIKey JQVIKAOAHLGSBS-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 4PXloS1gja9
Name 4-methyl-2-(phenylsulfanyl)cyclohexanone
Comments Less than 3 mono-isotopic peaks
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Formula C13H16OS
InChI InChI=1S/C13H16OS/c1-10-7-8-12(14)13(9-10)15-11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3
InChIKey JQVIKAOAHLGSBS-UHFFFAOYSA-N
Molecular Weight 220.330 g/mol
SMILES C1(C(CC(CC1)C)Sc1ccccc1)=O
SPLASH splash10-0229-0590000000-794ac44c0e2ea9b7d0e2
Source of Spectrum QE-8-925-6
Synonyms 4-methyl-2-(phenylthio)-1-cyclohexanone 4-methyl-2-(phenylthio)cyclohexanone 4-methyl-2-phenylsulfanyl-cyclohexan-1-one 4-methyl-2-phenylsulfanylcyclohexan-1-one
Wiley ID 1557266