| SpectraBase Spectrum ID |
LtbxCFAmPEk |
| Name |
3-Phenylpropionic acid, 2-formyl-4,6-dichlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.016349643 u |
| Formula |
C16H12Cl2O3 |
| InChI |
InChI=1S/C16H12Cl2O3/c17-13-8-12(10-19)16(14(18)9-13)21-15(20)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2 |
| InChIKey |
RRDFELWLDSZNSA-UHFFFAOYSA-N |
| Molecular Weight |
323.175 g/mol |
| SMILES |
C(CC1=CC=CC=C1)C(=O)OC1=C(C=C(C=C1Cl)Cl)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840844 |
