| SpectraBase Spectrum ID |
ApcONP1wtmq |
| Name |
4-Chlorophenol |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
106-48-9; 1193-00-6; 1121-74-0 |
| ChEBI ID |
28078 |
| Comments |
100 mM 4-Chlorophenol - 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 O |
| IUPAC Name |
4-chlorophenol |
| InChI |
InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H |
| InChIKey |
WXNZTHHGJRFXKQ-UHFFFAOYSA-N |
| KEGG Compound ID |
C02124 |
| KEGG Pathways |
PATH: ko00627 1,4-Dichlorobenzene degradation |
| PubChem Compound ID |
4684 |
| SMILES |
C1=CC(=CC=C1O)Cl |
| Source File Reference |
bmse000461 |
