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2-tert-Butyl-2-phenylthiocyclohexanone
SpectraBase Compound ID AP5oQKUvzTf
InChI InChI=1S/C16H22OS/c1-15(2,3)16(12-8-7-11-14(16)17)18-13-9-5-4-6-10-13/h4-6,9-10H,7-8,11-12H2,1-3H3
InChIKey IZQBRFYZCZPJOL-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 xOlztVjfjy
Name 2-tert-Butyl-2-phenylthiocyclohexanone
Alternate Name(s) 2-tert-Butyl-2-(phenylsulfanyl)cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22OS
InChI InChI=1S/C16H22OS/c1-15(2,3)16(12-8-7-11-14(16)17)18-13-9-5-4-6-10-13/h4-6,9-10H,7-8,11-12H2,1-3H3
InChIKey IZQBRFYZCZPJOL-UHFFFAOYSA-N
Molecular Weight 262.411 g/mol
SMILES C1(C(CCCC1)(Sc1ccccc1)C(C)(C)C)=O
SPLASH splash10-08fr-3900000000-748bb81e17cea6cdbccf
Source of Spectrum KC-1992-3010-41
Wiley ID 777246