| SpectraBase Spectrum ID |
J8RAD2Xy5Lu |
| Name |
3,5-Dichlorocatechol |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
13673-92-2 |
| ChEBI ID |
15788 |
| Comments |
Saturated 3,5-dichlorocatechol - 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 |
C6 H4 Cl2 O2 |
| IUPAC Name |
3,5-dichloropyrocatechol; 3,5-dichlorobenzene-1,2-diol |
| InChI |
InChI=1S/C6H4Cl2O2/c7-3-1-4(8)6(10)5(9)2-3/h1-2,9-10H |
| InChIKey |
XSXYVLIPQMXCBV-UHFFFAOYSA-N |
| KEGG Compound ID |
C02933 |
| KEGG Pathways |
PATH: ko00627 1,4-Dichlorobenzene degradation |
| PubChem Compound ID |
26173 |
| SMILES |
C1=C(C=C(C(=C1Cl)O)O)Cl |
| Source File Reference |
bmse000336 |
