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3-[(phenylthio)(trimethylsilyl)methyl]-3,5,5-trimethyl-cyclohexanone
SpectraBase Compound ID BhGNfQGbtNX
InChI InChI=1S/C19H30OSSi/c1-18(2)12-15(20)13-19(3,14-18)17(22(4,5)6)21-16-10-8-7-9-11-16/h7-11,17H,12-14H2,1-6H3
InChIKey JIXXUCSQFUSLJX-UHFFFAOYSA-N
Mol Weight 334.59 g/mol
Molecular Formula C19H30OSSi
Exact Mass 334.178663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DRqXRdrWxOa
Name 3-[(phenylthio)(trimethylsilyl)methyl]-3,5,5-trimethyl-cyclohexanone
Alternate Name(s) 3,3,5-trimethyl-5-[(phenylsulfanyl)(trimethylsilyl)methyl]cyclohexanone
CAS Registry Number 104115-22-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30OSSi
InChI InChI=1S/C19H30OSSi/c1-18(2)12-15(20)13-19(3,14-18)17(22(4,5)6)21-16-10-8-7-9-11-16/h7-11,17H,12-14H2,1-6H3
InChIKey JIXXUCSQFUSLJX-UHFFFAOYSA-N
Molecular Weight 334.593 g/mol
SMILES C1(C(Sc2ccccc2)[Si](C)(C)C)(CC(C)(C)CC(C1)=O)C
SPLASH splash10-0ab9-8942000000-8df31a5fd575c2341f26
Source of Spectrum J-51-3991-23
Wiley ID 1331006