| SpectraBase Spectrum ID |
B2kkCGOaRzl |
| Name |
3-Phenylpropionic 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 |
294.021435024 u |
| Formula |
C15H12Cl2O2 |
| InChI |
InChI=1S/C15H12Cl2O2/c16-13-8-7-12(10-14(13)17)19-15(18)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2 |
| InChIKey |
FQOCOCXQBBVPNZ-UHFFFAOYSA-N |
| SMILES |
C1=CC=C(C=C1)CCC(OC=1C=CC(=C(C1)Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871349 |
