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2-[.alpha.-(Benzylthio)benzyl]cyclohexanone
SpectraBase Compound ID 9mqC56MKe02
InChI InChI=1S/C20H22OS/c21-19-14-8-7-13-18(19)20(17-11-5-2-6-12-17)22-15-16-9-3-1-4-10-16/h1-6,9-12,18,20H,7-8,13-15H2
InChIKey AYXVIQLMWXJEOX-UHFFFAOYSA-N
Mol Weight 310.46 g/mol
Molecular Formula C20H22OS
Exact Mass 310.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7V6KRndgQL2
Name 2-[.alpha.-(Benzylthio)benzyl]cyclohexanone
Alternate Name(s) 2-[(Benzylsulfanyl)(phenyl)methyl]cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22OS
InChI InChI=1S/C20H22OS/c21-19-14-8-7-13-18(19)20(17-11-5-2-6-12-17)22-15-16-9-3-1-4-10-16/h1-6,9-12,18,20H,7-8,13-15H2
InChIKey AYXVIQLMWXJEOX-UHFFFAOYSA-N
Molecular Weight 310.455 g/mol
SMILES C1(C(SCc2ccccc2)c2ccccc2)C(=O)CCCC1
SPLASH splash10-0006-9210000000-1538a880a556669a91f8
Source of Spectrum F-54-2695-10
Wiley ID 806194