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Cyclohexanone, 2-[(2,4-dimethylphenyl)thio]-
SpectraBase Compound ID 4oGOrjETZsc
InChI InChI=1S/C14H18OS/c1-10-7-8-13(11(2)9-10)16-14-6-4-3-5-12(14)15/h7-9,14H,3-6H2,1-2H3
InChIKey XBOIPWNUOWTCSW-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 5UW2IfSzl8
Name Cyclohexanone, 2-[(2,4-dimethylphenyl)thio]-
Alternate Name(s) 2-(2,4-dimethylphenyl)sulfanylcyclohexan-1-one 2-[(2,4-dimethylphenyl)thio]-1-cyclohexanone 2-[(2,4-Dimethylphenyl)thio]cyclohexanone
CAS Registry Number 89816-86-4
Comments Less than 3 mono-isotopic peaks
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Formula C14H18OS
InChI InChI=1S/C14H18OS/c1-10-7-8-13(11(2)9-10)16-14-6-4-3-5-12(14)15/h7-9,14H,3-6H2,1-2H3
InChIKey XBOIPWNUOWTCSW-UHFFFAOYSA-N
Molecular Weight 234.357 g/mol
SMILES c1(SC2C(=O)CCCC2)c(cc(cc1)C)C
SPLASH splash10-0019-0970000000-b3f9227d4bdfcab8fc6f
Source of Spectrum Y-20-1493-0
Wiley ID 1236042