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

*Links on SpectraBase are not permalinks.

alpha-Carboxy-o-toluic acid

View entire compound with spectra: 5 NMR, 4 FTIR, 1 Raman, and 2 MS (GC)

alpha-Carboxy-o-toluic acid
SpectraBase Compound ID JdlB5BSWM2O
InChI InChI=1S/C9H8O4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)
InChIKey ZHQLTKAVLJKSKR-UHFFFAOYSA-N
Mol Weight 180.16 g/mol
Molecular Formula C9H8O4
Exact Mass 180.042259 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 1kJ3Ohc2bPa
Name Homophthalic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number H16205
CAS Registry Number 89-51-0
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O4
InChI InChI=1S/C9H8O4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)
InChIKey ZHQLTKAVLJKSKR-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms alpha-Carboxy-o-toluic acid 2-Carboxyphenylacetic acid
Wiley ID SIAL_13CNMR_011992