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2-(p-Chlorophenylthio)cyclohexanone
SpectraBase Compound ID 5HkJRbjw9kD
InChI InChI=1S/C12H13ClOS/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h5-8,12H,1-4H2
InChIKey AJLLFHAFVYCXJX-UHFFFAOYSA-N
Mol Weight 240.75 g/mol
Molecular Formula C12H13ClOS
Exact Mass 240.037564 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2FKOWW4l0WZ
Name 2-(p-Chlorophenylthio)cyclohexanone
Alternate Name(s) 2-[(4-chlorophenyl)thio]-1-cyclohexanone 2-(4-Chlorophenyl)sulfanylcyclohexanone 2-(4-chlorophenyl)sulfanylcyclohexan-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C12H13ClOS
InChI InChI=1S/C12H13ClOS/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h5-8,12H,1-4H2
InChIKey AJLLFHAFVYCXJX-UHFFFAOYSA-N
Molecular Weight 240.748 g/mol
SMILES C1(Sc2ccc(cc2)Cl)C(=O)CCCC1
SPLASH splash10-0006-0890000000-cf5b4ed17b556298c5c1
Source of Spectrum E1-58-1351-0
Wiley ID 1661943