| SpectraBase Spectrum ID |
DEP7eOdasQe |
| Name |
Phenylacetic acid, 3,4-dichlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.005784960 u |
| Formula |
C14H10Cl2O2 |
| InChI |
InChI=1S/C14H10Cl2O2/c15-12-7-6-11(9-13(12)16)18-14(17)8-10-4-2-1-3-5-10/h1-7,9H,8H2 |
| InChIKey |
FUOMZHNWKYXFPG-UHFFFAOYSA-N |
| Molecular Weight |
281.138 g/mol |
| SMILES |
C1=CC=CC=C1CC(OC=1C=CC(=C(C1)Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936548 |
