| SpectraBase Spectrum ID |
GY3YCNRVnIo |
| Name |
2-Furoic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
88-14-2 |
| ChEBI ID |
30845 |
| Comments |
100 mM 2-Furoic 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 H4 O3 |
| IUPAC Name |
furan-2-carboxylic acid; 2-furoic acid; 2-furancarboxylic acid |
| InChI |
InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7) |
| InChIKey |
SMNDYUVBFMFKNZ-UHFFFAOYSA-N |
| PubChem Compound ID |
6919 |
| SMILES |
C1=COC(=C1)C(=O)O |
| Source File Reference |
bmse000330 |
