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

*Links on SpectraBase are not permalinks.
[1R*,2S*,(S)S*]-4,4-dimethyl-2-(phenylsulfinyl)cyclohexanol
SpectraBase Compound ID I7a7k7Dm2ap
InChI InChI=1S/C14H20O2S/c1-14(2)9-8-12(15)13(10-14)17(16)11-6-4-3-5-7-11/h3-7,12-13,15H,8-10H2,1-2H3/t12-,13+,17?/m1/s1
InChIKey IIZFJZRNURVIRE-LABGONDVSA-N
Mol Weight 252.37 g/mol
Molecular Formula C14H20O2S
Exact Mass 252.118401 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 FMwtLbxPUQI
Name [1R*,2S*,(S)S*]-4,4-dimethyl-2-(phenylsulfinyl)cyclohexanol
CAS Registry Number 125074-91-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2S
InChI InChI=1S/C14H20O2S/c1-14(2)9-8-12(15)13(10-14)17(16)11-6-4-3-5-7-11/h3-7,12-13,15H,8-10H2,1-2H3/t12-,13+,17?/m1/s1
InChIKey IIZFJZRNURVIRE-LABGONDVSA-N
Molecular Weight 252.372 g/mol
SMILES O[C@]1([C@@](S(=O)c2ccccc2)(CC(C)(C)CC1)[H])[H]
SPLASH splash10-004i-0900000000-261ea414211c09e2c4c7
Source of Spectrum J-55-2128-23
Synonyms [1R*,2S*,(S)R*}-4,4-dimethyl-2-(phenylsulfinyl)cyclohexanol (1R,2S)-4,4-dimethyl-2-(phenylsulfinyl)cyclohexanol [1R*,2S*, (S)S*]-4,4-dimethyl-2-(phenylsulfinyl)cyclohexanol [1R*,2S*, (S)R*}-4,4-dimethyl-2-(phenylsulfinyl)cyclohexanol
Wiley ID 1255506