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5-(Phenylthio)cyclohexanone
SpectraBase Compound ID BWeDfDKa1nW
InChI InChI=1S/C12H14OS/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-9H2
InChIKey ODZCHNYVOXNEKZ-UHFFFAOYSA-N
Mol Weight 206.3 g/mol
Molecular Formula C12H14OS
Exact Mass 206.076536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DAend3x79L5
Name 5-(Phenylthio)cyclohexanone
Alternate Name(s) 3-(Phenylthio)-Cyclohexanone 3-(Phenylthio)-1-cyclohexanone 3-Phenylsulfanylcyclohexanone 3-Phenylsulfanylcyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14OS
InChI InChI=1S/C12H14OS/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-9H2
InChIKey ODZCHNYVOXNEKZ-UHFFFAOYSA-N
Molecular Weight 206.303 g/mol
SMILES C1(Sc2ccccc2)CC(=O)CCC1
SPLASH splash10-066r-9160000000-c75a38da75c6d216fe3b
Source of Spectrum D9-20-95-4
Wiley ID 1695571