| SpectraBase Spectrum ID |
LrtU12VlIjq |
| Name |
Chlorohydroquinone |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
140627-31-2; 68103-34-4; 134900-92-8 |
| ChEBI ID |
27675 |
| Comments |
Saturated chlorohydroquinone - 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 H5 Cl O2 |
| IUPAC Name |
2-chlorobenzene-1,4-diol; 2-chlorohydroquinone |
| InChI |
InChI=1S/C6H5ClO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H |
| InChIKey |
AJPXTSMULZANCB-UHFFFAOYSA-N |
| KEGG Compound ID |
C06601 |
| KEGG Pathways |
PATH: ko00361 gamma-Hexachlorocyclohexane degradation |
| PubChem Compound ID |
301 |
| SMILES |
C1=CC(=C(C=C1O)Cl)O |
| Source File Reference |
bmse000358 |
