| SpectraBase Spectrum ID |
F8KW6rmhM8x |
| Name |
4-Chlorocatechol |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
2138-22-9 |
| ChEBI ID |
27772 |
| Comments |
100 mM 4-Chlorocatechol - Sigma-Aldrich; Solvent D2O; Buffer sodium phosphate; Cytocide sodium azide; Reference DSS; pH 7.4, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C6 H5 Cl O2 |
| IUPAC Name |
4-chlorobenzene-1,2-diol; 4-chloropyrocatechol |
| InChI |
InChI=1S/C6H5ClO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H |
| InChIKey |
WWOBYPKUYODHDG-UHFFFAOYSA-N |
| KEGG Compound ID |
C02375 |
| KEGG Pathways |
PATH: ko00627 1,4-Dichlorobenzene degradation |
| PubChem Compound ID |
16496 |
| SMILES |
C1=CC(=C(C=C1Cl)O)O |
| Source File Reference |
bmse000420 |
