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2-Methyl-3-(di(phenylthio)methyl)-5-(1-isopropenyl)cyclohexan-1-one
SpectraBase Compound ID 8puIilEZKZb
InChI InChI=1S/C23H26OS2/c1-16(2)18-14-21(17(3)22(24)15-18)23(25-19-10-6-4-7-11-19)26-20-12-8-5-9-13-20/h4-13,17-18,21,23H,1,14-15H2,2-3H3
InChIKey HSZNNKYKXPRLNR-UHFFFAOYSA-N
Mol Weight 382.58 g/mol
Molecular Formula C23H26OS2
Exact Mass 382.142508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ZhKzfC4FVo
Name 2-Methyl-3-(di(phenylthio)methyl)-5-(1-isopropenyl)cyclohexan-1-one
Alternate Name(s) isomer-2-methyl-3-(di(phenylthio)methyl)-5-(1-isopropenyl)cyclohexan-1-one 3-[bis(phenylsulfanyl)methyl]-5-isopropenyl-2-methylcyclohexanone
CAS Registry Number 97336-62-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26OS2
InChI InChI=1S/C23H26OS2/c1-16(2)18-14-21(17(3)22(24)15-18)23(25-19-10-6-4-7-11-19)26-20-12-8-5-9-13-20/h4-13,17-18,21,23H,1,14-15H2,2-3H3
InChIKey HSZNNKYKXPRLNR-UHFFFAOYSA-N
Molecular Weight 382.580 g/mol
SMILES C(C1CC(C(=C)C)CC(C1C)=O)(Sc1ccccc1)Sc1ccccc1
SPLASH splash10-03r0-0991000000-e8f0c38e47e8783f9090
Source of Spectrum J-50-3268-8
Wiley ID 1360690