For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
[2S*,(S)R*]-4,4-dimethyl-2-(phenylsulfinyl)cyclohexanone
SpectraBase Compound ID 3JVjqhBJ4qz
InChI InChI=1S/C14H18O2S/c1-14(2)9-8-12(15)13(10-14)17(16)11-6-4-3-5-7-11/h3-7,13H,8-10H2,1-2H3
InChIKey NRWIFSLLQWXAGK-UHFFFAOYSA-N
Mol Weight 250.36 g/mol
Molecular Formula C14H18O2S
Exact Mass 250.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9EaKP5eT86t
Name [2S*,(S)R*]-4,4-dimethyl-2-(phenylsulfinyl)cyclohexanone
CAS Registry Number 124992-57-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2S
InChI InChI=1S/C14H18O2S/c1-14(2)9-8-12(15)13(10-14)17(16)11-6-4-3-5-7-11/h3-7,13H,8-10H2,1-2H3
InChIKey NRWIFSLLQWXAGK-UHFFFAOYSA-N
Molecular Weight 250.356 g/mol
SMILES C1(S(=O)c2ccccc2)C(=O)CCC(C1)(C)C
SPLASH splash10-0a6r-9710000000-c75e1ffc8c11a6fcebbc
Source of Spectrum J-55-2126-17
Synonyms 4,4-Dimethyl-2-(phenylsulfinyl)cyclohexanone
Wiley ID 1253223