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(2R*,6 S *)-2-(Methyl t h i o)-6-(phenyl t h i o)cyclohexanone.
SpectraBase Compound ID 3hYCcqPkhUG
InChI InChI=1S/C13H16OS2/c1-15-11-8-5-9-12(13(11)14)16-10-6-3-2-4-7-10/h2-4,6-7,11-12H,5,8-9H2,1H3/t11-,12+/m1/s1
InChIKey ACAZKJAVYXRXND-NEPJUHHUSA-N
Mol Weight 252.39 g/mol
Molecular Formula C13H16OS2
Exact Mass 252.064257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A5z8IhLBgV9
Name (2R*,6 S *)-2-(Methyl t h i o)-6-(phenyl t h i o)cyclohexanone.
Comments Less than 3 mono-isotopic peaks
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Formula C13H16OS2
InChI InChI=1S/C13H16OS2/c1-15-11-8-5-9-12(13(11)14)16-10-6-3-2-4-7-10/h2-4,6-7,11-12H,5,8-9H2,1H3/t11-,12+/m1/s1
InChIKey ACAZKJAVYXRXND-NEPJUHHUSA-N
Molecular Weight 252.390 g/mol
SMILES C1([C@@](Sc2ccccc2)(CCC[C@]1(SC)[H])[H])=O
SPLASH splash10-0udi-0090000000-5a079e7ea0ab6d47dbec
Source of Spectrum F-67-2312-0
Wiley ID 1686015