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

*Links on SpectraBase are not permalinks.

2-Thioxo-cyclohexanecarboxylic acid, ethyl ester

View entire compound with spectra: 4 NMR

2-Thioxo-cyclohexanecarboxylic acid, ethyl ester
SpectraBase Compound ID CcTNZPXQst0
InChI InChI=1S/C9H14O2S/c1-2-11-9(10)7-5-3-4-6-8(7)12/h12H,2-6H2,1H3
InChIKey VRFUJRRFOFCDOO-UHFFFAOYSA-N
Mol Weight 186.27 g/mol
Molecular Formula C9H14O2S
Exact Mass 186.071451 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID C5vKVhZGR97
Name 2-Thioxo-cyclohexanecarboxylic acid, ethyl ester
CAS Registry Number 54928-91-5
Comments (Z)-ENETHIOL FORM
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C9H14O2S
InChI InChI=1S/C9H14O2S/c1-2-11-9(10)7-5-3-4-6-8(7)12/h12H,2-6H2,1H3
InChIKey VRFUJRRFOFCDOO-UHFFFAOYSA-N
Instrument Name Bruker HX-270
Literature Reference F. Duns, P.E. Hansen, Org. Magn. Resonance 22, 16 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3