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2-Phenylthio-5-methylcyclohexanone
SpectraBase Compound ID 3mWLskLteBd
InChI InChI=1S/C13H16OS/c1-10-7-8-13(12(14)9-10)15-11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3
InChIKey WVQHIPYOBZAUKX-UHFFFAOYSA-N
Mol Weight 220.33 g/mol
Molecular Formula C13H16OS
Exact Mass 220.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vjn6841Am
Name 2-Phenylthio-5-methylcyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16OS
InChI InChI=1S/C13H16OS/c1-10-7-8-13(12(14)9-10)15-11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3
InChIKey WVQHIPYOBZAUKX-UHFFFAOYSA-N
Molecular Weight 220.330 g/mol
SMILES C1(C(Sc2ccccc2)CCC(C1)C)=O
SPLASH splash10-0229-0960000000-a7df688043da7bdb0d0c
Source of Spectrum J-58-4861-2
Synonyms 5-Methyl-2-(phenylthio)-1-cyclohexanone 5-Methyl-2-(phenylsulfanyl)cyclohexanone
Wiley ID 1219848