| SpectraBase Spectrum ID |
4tub5jDsWcn |
| Name |
p-Toluic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
99-94-5; 2420-97-5; 23292-93-5 |
| ChEBI ID |
36635 |
| Comments |
100 mM p-Toluic acid - Sigma-Aldrich
Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, 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 |
4-methylbenzoic acid |
| InChI |
InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10) |
| InChIKey |
LPNBBFKOUUSUDB-UHFFFAOYSA-N |
| KEGG Compound ID |
C01454 |
| KEGG Pathways |
PATH: ko00622 Toluene and xylene degradation |
| PubChem Compound ID |
7470 |
| SMILES |
CC1=CC=C(C=C1)C(=O)O |
| Source File Reference |
bmse000414 |
