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3-[1,1-Bis(phenylsulfanyl)ethyl]cyclohexanone
SpectraBase Compound ID AoHM6RwNEYk
InChI InChI=1S/C20H22OS2/c1-20(16-9-8-10-17(21)15-16,22-18-11-4-2-5-12-18)23-19-13-6-3-7-14-19/h2-7,11-14,16H,8-10,15H2,1H3
InChIKey DHAICVFSPJOSSE-UHFFFAOYSA-N
Mol Weight 342.52 g/mol
Molecular Formula C20H22OS2
Exact Mass 342.111208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7UyuuwABvDG
Name 3-[1,1-Bis(phenylsulfanyl)ethyl]cyclohexanone
CAS Registry Number 89969-02-8
Comments Less than 3 mono-isotopic peaks
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Formula C20H22OS2
InChI InChI=1S/C20H22OS2/c1-20(16-9-8-10-17(21)15-16,22-18-11-4-2-5-12-18)23-19-13-6-3-7-14-19/h2-7,11-14,16H,8-10,15H2,1H3
InChIKey DHAICVFSPJOSSE-UHFFFAOYSA-N
Molecular Weight 342.515 g/mol
SMILES C(Sc1ccccc1)(Sc1ccccc1)(C1CC(=O)CCC1)C
SPLASH splash10-001i-0090000000-4e9c341ad034a1428c30
Source of Spectrum J-50-3268-6
Synonyms 3-[1,1-bis(phenylthio)ethyl]-1-cyclohexanone 3-[1,1-bis(phenylsulfanyl)ethyl]cyclohexan-1-one
Wiley ID 1336620