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2-Methyl-2-(phenylsulfanyl)cyclohexanone
SpectraBase Compound ID 3UGYnvfZGIh
InChI InChI=1S/C13H16OS/c1-13(10-6-5-9-12(13)14)15-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3
InChIKey BKWNNSJZBGLZHV-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 6d1MVKYxPLW
Name 2-Methyl-2-(phenylsulfanyl)cyclohexanone
CAS Registry Number 54376-46-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16OS
InChI InChI=1S/C13H16OS/c1-13(10-6-5-9-12(13)14)15-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3
InChIKey BKWNNSJZBGLZHV-UHFFFAOYSA-N
Molecular Weight 220.330 g/mol
SMILES C1(Sc2ccccc2)(C(=O)CCCC1)C
SPLASH splash10-08n9-7960000000-c375e7ad3b041174a82d
Source of Spectrum H-61-86-0
Synonyms 2-Methyl-2-(phenylthio)-1-cyclohexanone 2-Methyl-2-phenylsulfanyl-cyclohexan-1-one 2-Methyl-2-phenylsulfanylcyclohexan-1-one 2-Methyl-2-phenylsulfanyl-cyclohexanone
Wiley ID 1219824