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2-Methyl-2-[(phenyl)(phenylthio)methyl]-1-cycohexanone

View entire compound with spectra: 1 MS (GC)

2-Methyl-2-[(phenyl)(phenylthio)methyl]-1-cycohexanone
SpectraBase Compound ID IDtBaHBPNG5
InChI InChI=1S/C20H22OS/c1-20(15-9-8-14-18(20)21)19(16-10-4-2-5-11-16)22-17-12-6-3-7-13-17/h2-7,10-13,19H,8-9,14-15H2,1H3
InChIKey HZCGWBLAUPTWCJ-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 4S769JWLajp
Name 2-Methyl-2-[(phenyl)(phenylthio)methyl]-1-cycohexanone
Alternate Name(s) 2-Methyl-2-[(phenyl)(phenylthio)methyl]-1-cyclohexanone 2-methyl-2-[phenyl(phenylsulfanyl)methyl]cyclohexanone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22OS
InChI InChI=1S/C20H22OS/c1-20(15-9-8-14-18(20)21)19(16-10-4-2-5-11-16)22-17-12-6-3-7-13-17/h2-7,10-13,19H,8-9,14-15H2,1H3
InChIKey HZCGWBLAUPTWCJ-UHFFFAOYSA-N
Molecular Weight 310.455 g/mol
SMILES C1(C(Sc2ccccc2)c2ccccc2)(C(=O)CCCC1)C
SPLASH splash10-0a4i-9000000000-d37c955baeb1475246d1
Source of Spectrum U-1993-52-2
Wiley ID 764793