| SpectraBase Spectrum ID |
FOByZtPOmKp |
| Name |
Pyrocatechol |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
120-80-9 |
| ChEBI ID |
18135 |
| Comments |
100 mM Pyrocatechol - 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 |
C6H6O2 |
| IUPAC Name |
benzene-1,2-diol; pyrocatechol |
| InChI |
InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H |
| InChIKey |
YCIMNLLNPGFGHC-UHFFFAOYSA-N |
| KEGG Compound ID |
C01785 |
| PubChem Compound ID |
289 |
| SMILES |
C1=CC=C(C(=C1)O)O |
| Source File Reference |
bmse000385 |
| Synonyms |
Catechol
1,2-Dihydroxybenzene |
