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

*Links on SpectraBase are not permalinks.

BAQGCWNPCFABAY-UHFFFAOYSA-N

View entire compound with spectra: 8 NMR, 2 FTIR, and 1 Raman

BAQGCWNPCFABAY-UHFFFAOYSA-N
SpectraBase Compound ID 7Rc2q46CkAe
InChI InChI=1S/C8H8O2S/c1-10-8(9)6-4-2-3-5-7(6)11/h2-5,11H,1H3
InChIKey BAQGCWNPCFABAY-UHFFFAOYSA-N
Mol Weight 168.21 g/mol
Molecular Formula C8H8O2S
Exact Mass 168.024501 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID ATITkelKXvK
Name 2-Mercapto-benzoic acid, methyl ester
CAS Registry Number 4892-02-8
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C8H8O2S
InChI InChI=1S/C8H8O2S/c1-10-8(9)6-4-2-3-5-7(6)11/h2-5,11H,1H3
InChIKey BAQGCWNPCFABAY-UHFFFAOYSA-N
Instrument Name Jeol PS-100
Literature Reference L.M. Jackman, J.C. Trewella, R.C.Haddon, J. Am. Chem. Soc. 102, 2519 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3