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

*Links on SpectraBase are not permalinks.

thiobenzoic acid, S-ester with (3S)-3-mercaptocyclohexanone

View entire compound with spectra: 1 NMR, and 1 FTIR

thiobenzoic acid, S-ester with (3S)-3-mercaptocyclohexanone
SpectraBase Compound ID 171IxmpH0xS
InChI InChI=1S/C13H14O2S/c14-11-7-4-8-12(9-11)16-13(15)10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2
InChIKey UAHPGBFSJIKECI-UHFFFAOYSA-N
Mol Weight 234.31 g/mol
Molecular Formula C13H14O2S
Exact Mass 234.071451 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID FXxwR5U37mp
Name THIOBENZOIC ACID, S-ESTER WITH (3S)-3-MERCAPTOCYCLOHEXANONE
Source of Sample J. K. Gawronski, Adam Mickiewicz University, Poznan, Poland
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O2S
InChI InChI=1S/C13H14O2S/c14-11-7-4-8-12(9-11)16-13(15)10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2
InChIKey UAHPGBFSJIKECI-UHFFFAOYSA-N
Literature Reference J. CHEM. SOC., CHEM. COMMUN. 1981, 307 Abstract-Chemical Abstracts= 95, 97149C(1981)
Melting Point 81-84C
Molecular Weight 234.313004
Optical Properties Optical Rotation= (20C) -33.0 DEG (CCl4)
Synonyms BENZOIC ACID, THIO-, S-ESTER WITH /3S/-3-MERCAPTOCYCLOHEXANONE
Technique KBr WAFER