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

*Links on SpectraBase are not permalinks.
1-[(2-Hydroxy-3,3-dimethyl-1-phenylsulfanyl)butyl]cyclohexanol isomer
SpectraBase Compound ID EMX5QeXYqYB
InChI InChI=1S/C18H28O2S/c1-17(2,3)15(19)16(18(20)12-8-5-9-13-18)21-14-10-6-4-7-11-14/h4,6-7,10-11,15-16,19-20H,5,8-9,12-13H2,1-3H3
InChIKey SJZHXAWSWCVFCB-UHFFFAOYSA-N
Mol Weight 308.48 g/mol
Molecular Formula C18H28O2S
Exact Mass 308.181001 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 3boWvD6XjM
Name 1-[(2-Hydroxy-3,3-dimethyl-1-phenylsulfanyl)butyl]cyclohexanol isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O2S
InChI InChI=1S/C18H28O2S/c1-17(2,3)15(19)16(18(20)12-8-5-9-13-18)21-14-10-6-4-7-11-14/h4,6-7,10-11,15-16,19-20H,5,8-9,12-13H2,1-3H3
InChIKey SJZHXAWSWCVFCB-UHFFFAOYSA-N
Molecular Weight 308.480 g/mol
SMILES OC(C(C1(O)CCCCC1)Sc1ccccc1)C(C)(C)C
SPLASH splash10-055f-9300000000-536648b16da6ce22a506
Source of Spectrum KC-57-4418-8
Synonyms 1-(2-hydroxy-3,3-dimethyl-1-phenylsulfanylbutyl)cyclohexan-1-ol 1-[2-hydroxy-3,3-dimethyl-1-(phenylthio)butyl]-1-cyclohexanol 1-(3,3-dimethyl-2-oxidanyl-1-phenylsulfanyl-butyl)cyclohexan-1-ol 1-[2-hydroxy-3,3-dimethyl-1-(phenylthio)butyl]cyclohexanol 1-(2-hydroxy-3,3-dimethyl-1-phenylsulfanyl-butyl)cyclohexanol
Wiley ID 1624170