| SpectraBase Spectrum ID |
InxP7f3llFb |
| Name |
Phthalaldehydic acid |
| Acquisition Mode |
SIMULTANEOUS |
| Comments |
100 mM Phthalaldehydic 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 H6 O3 |
| IUPAC Name |
2-formylbenzoic acid; phthalaldehydic acid; 2-methanoylbenzoic acid |
| InChI |
InChI=1S/C8H6O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,(H,10,11) |
| InChIKey |
DYNFCHNNOHNJFG-UHFFFAOYSA-N |
| PubChem Compound ID |
16211212 |
| SMILES |
C1=CC=C(C(=C1)C=O)C(=O)O |
| Source File Reference |
bmse000465 |
