| SpectraBase Spectrum ID |
6sN70Pmxhgr |
| Name |
Phenyl acetate |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
122-79-2 |
| ChEBI ID |
8082 |
| Comments |
Saturated Phenyl Acetate - Sigma-Aldrich
Solvent CDCl3, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C8 H8 O2 |
| IUPAC Name |
phenyl acetate; acetic acid phenyl ester; phenyl ethanoate |
| InChI |
InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3 |
| InChIKey |
IPBVNPXQWQGGJP-UHFFFAOYSA-N |
| KEGG Compound ID |
C00548 |
| PubChem Compound ID |
31229 |
| SMILES |
CC(=O)OC1=CC=CC=C1 |
| Source File Reference |
bmse000481 |
