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(2RS,4RS)-4-tert-Butyl-2-methyl-2-phenylthiocyclohexanone
SpectraBase Compound ID KYeNNAWpBqZ
InChI InChI=1S/C17H24OS/c1-16(2,3)13-10-11-15(18)17(4,12-13)19-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3
InChIKey NONKNTDWGSFUTG-UHFFFAOYSA-N
Mol Weight 276.44 g/mol
Molecular Formula C17H24OS
Exact Mass 276.154787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7n5Nfjp4Krl
Name (2RS,4RS)-4-tert-Butyl-2-methyl-2-phenylthiocyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24OS
InChI InChI=1S/C17H24OS/c1-16(2,3)13-10-11-15(18)17(4,12-13)19-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3
InChIKey NONKNTDWGSFUTG-UHFFFAOYSA-N
Molecular Weight 276.438 g/mol
SMILES C1(C(CC(CC1)C(C)(C)C)(Sc1ccccc1)C)=O
SPLASH splash10-004i-2190000000-9ad874783d2a721d6672
Source of Spectrum KC-1992-3011-42
Synonyms (2RS,4SR)-4-tert-Butyl-2-methyl-2-phenylthiocyclohexanone 4-tert-Butyl-2-methyl-2-(phenylsulfanyl)cyclohexanone
Wiley ID 777243