| SpectraBase Spectrum ID |
FnlOEIaCwD7 |
| Name |
o-Toluic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
118-90-1; 25567-10-6 |
| ChEBI ID |
36632 |
| Comments |
Saturated o-toluic acid - Sigma-Aldrich
Solvent CDCl3, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C8 H8 O2 |
| IUPAC Name |
2-methylbenzoic acid |
| InChI |
InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10) |
| InChIKey |
ZWLPBLYKEWSWPD-UHFFFAOYSA-N |
| KEGG Compound ID |
C07215 |
| KEGG Pathways |
PATH: ko00622 Toluene and xylene degradation |
| PubChem Compound ID |
8373 |
| SMILES |
CC1=CC=CC=C1C(=O)O |
| Source File Reference |
bmse000557 |
