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3-Methyl-2-[(2-methylphenyl)sulfanyl]cyclohexanone
SpectraBase Compound ID 83plYqoZGFu
InChI InChI=1S/C14H18OS/c1-10-6-3-4-9-13(10)16-14-11(2)7-5-8-12(14)15/h3-4,6,9,11,14H,5,7-8H2,1-2H3
InChIKey SIHUQQAIRVNCKJ-UHFFFAOYSA-N
Mol Weight 234.36 g/mol
Molecular Formula C14H18OS
Exact Mass 234.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EvVMYHMwhEs
Name 3-Methyl-2-[(2-methylphenyl)sulfanyl]cyclohexanone
Alternate Name(s) 3-Methyl-2-(o-tolylthio)cyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18OS
InChI InChI=1S/C14H18OS/c1-10-6-3-4-9-13(10)16-14-11(2)7-5-8-12(14)15/h3-4,6,9,11,14H,5,7-8H2,1-2H3
InChIKey SIHUQQAIRVNCKJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201100191
Molecular Weight 234.357 g/mol
SMILES C1(C(C(CCC1)C)Sc1c(cccc1)C)=O
SPLASH splash10-0089-5790000000-ecb7d11cf8b03b80d66d
Source of Spectrum H-94-1760-5a
Wiley ID 1785912