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(2S*,6R*)-2-(Methylthio)-6-phenylcyclohexanone
SpectraBase Compound ID Kiu7qRdDtFe
InChI InChI=1S/C13H16OS/c1-15-12-9-5-8-11(13(12)14)10-6-3-2-4-7-10/h2-4,6-7,11-12H,5,8-9H2,1H3/t11-,12+/m1/s1
InChIKey ASUSYEWTGRMRAT-NEPJUHHUSA-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 6d8p5Jx49Uq
Name (2S*,6R*)-2-(Methylthio)-6-phenylcyclohexanone
Alternate Name(s) (2S,6R)-2-(methylthio)-6-phenyl-1-cyclohexanone (2S,6R)-2-methylsulfanyl-6-phenylcyclohexan-1-one (2S,6R)-2-methylsulfanyl-6-phenyl-cyclohexanone (2S,6R)-2-methylsulfanyl-6-phenyl-cyclohexan-1-one
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Formula C13H16OS
InChI InChI=1S/C13H16OS/c1-15-12-9-5-8-11(13(12)14)10-6-3-2-4-7-10/h2-4,6-7,11-12H,5,8-9H2,1H3/t11-,12+/m1/s1
InChIKey ASUSYEWTGRMRAT-NEPJUHHUSA-N
Molecular Weight 220.330 g/mol
SMILES C1([C@@](c2ccccc2)(CCC[C@@]1(SC)[H])[H])=O
SPLASH splash10-00di-0940000000-6f040a2e3dc1a0667968
Source of Spectrum F-67-2310-trans-9
Wiley ID 1686023