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Cyclohexanone, 4-(1,1-dimethylethyl)-2-(phenylthio)-
SpectraBase Compound ID AbdNJwlcFUL
InChI InChI=1S/C16H22OS/c1-16(2,3)12-9-10-14(17)15(11-12)18-13-7-5-4-6-8-13/h4-8,12,15H,9-11H2,1-3H3
InChIKey UOZGIJAJFIRXSU-UHFFFAOYSA-N
Mol Weight 262.41 g/mol
Molecular Formula C16H22OS
Exact Mass 262.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ARTdC38EHiZ
Name Cyclohexanone, 4-(1,1-dimethylethyl)-2-(phenylthio)-
Alternate Name(s) 4-tert-Butyl-2-(phenylsulfanyl)cyclohexanone 4-tert-Butyl-2-phenylthiocyclohexanone
CAS Registry Number 60774-46-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22OS
InChI InChI=1S/C16H22OS/c1-16(2,3)12-9-10-14(17)15(11-12)18-13-7-5-4-6-8-13/h4-8,12,15H,9-11H2,1-3H3
InChIKey UOZGIJAJFIRXSU-UHFFFAOYSA-N
Molecular Weight 262.411 g/mol
SMILES C1(C(CCC(C1)C(C)(C)C)=O)Sc1ccccc1
SPLASH splash10-0cdi-9200000000-4cc2d9c2daa0a37969bc
Source of Spectrum C-98-4898-0
Wiley ID 1266077