SpectraBase Spectrum ID |
4yz2mnr7z5t |
Name |
Succinic acid, 2,4-dichlorobenzyl ethyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
304.026914327 u |
Formula |
C13H14Cl2O4 |
InChI |
InChI=1S/C13H14Cl2O4/c1-2-18-12(16)5-6-13(17)19-8-9-3-4-10(14)7-11(9)15/h3-4,7H,2,5-6,8H2,1H3 |
InChIKey |
HRXQUHFQQWQPML-UHFFFAOYSA-N |
Molecular Weight |
305.157 g/mol |
SMILES |
C(CCC(OCC1=CC=C(C=C1Cl)Cl)=O)(OCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911323 |