| SpectraBase Spectrum ID |
BRCPNbDx8Jb |
| Name |
Isovaleric acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
503-74-2; 92634-50-9 |
| ChEBI ID |
28484 |
| Comments |
100 mM isovaleric-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 |
C5 H10 O2 |
| IUPAC Name |
3-methylbutanoic acid; 3-methylbutyric acid |
| InChI |
InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7) |
| InChIKey |
GWYFCOCPABKNJV-UHFFFAOYSA-N |
| PubChem Compound ID |
10430 |
| SMILES |
CC(C)CC(=O)O |
| Source File Reference |
bmse000373 |
