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 Google Search
Mol Weight	342.52 g/mol
Molecular Formula	C20H22OS2
Exact Mass	342.111208 g/mol

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SpectraBase Spectrum ID	7UyuuwABvDG
Name	3-[1,1-Bis(phenylsulfanyl)ethyl]cyclohexanone
Alternate Name(s)	3-[1,1-bis(phenylthio)ethyl]-1-cyclohexanone 3-[1,1-bis(phenylsulfanyl)ethyl]cyclohexan-1-one
CAS Registry Number	89969-02-8
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Wiley ID	1336620