| SpectraBase Spectrum ID |
5nXSbVx44AP |
| Name |
Isobutyric acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
19455-20-0; 533-90-4; 79-31-2 |
| ChEBI ID |
16135 |
| Comments |
100 mM Isobutyric 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 |
C4 H8 O2 |
| IUPAC Name |
2-methylpropanoic acid; isobutyric acid |
| InChI |
InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6) |
| InChIKey |
KQNPFQTWMSNSAP-UHFFFAOYSA-N |
| KEGG Compound ID |
C02632 |
| KEGG Pathways |
PATH: ko00621 Biphenyl degradation |
| PubChem Compound ID |
6590 |
| SMILES |
CC(C)C(=O)O |
| Source File Reference |
bmse000439 |
