| SpectraBase Spectrum ID |
KoM1IBedyUQ |
| Name |
4'-Chloroacetophenone |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
99-91-2 |
| Comments |
Saturated 4-chloroacetophenone - Sigma-Aldrich; Solvent CDCl3; pH , temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C8H7ClO |
| IUPAC Name |
1-(4-chlorophenyl)ethanone |
| InChI |
InChI=1S/C8H7ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3 |
| InChIKey |
BUZYGTVTZYSBCU-UHFFFAOYSA-N |
| KEGG Compound ID |
C06647 |
| KEGG Pathways |
PATH: ko00351 1,1,1-Trichloro-2,2-bis(4-chlorophenyl)ethane (DDT) degradation |
| PubChem Compound ID |
7467 |
| SMILES |
CC(=O)C1=CC=C(C=C1)Cl |
| Source File Reference |
bmse000518 |
