| SpectraBase Spectrum ID |
7akni8COzAr |
| Name |
Succinic acid, 2,3-dichlorobenzyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.042564391 u |
| Formula |
C14H16Cl2O4 |
| InChI |
InChI=1S/C14H16Cl2O4/c1-2-8-19-12(17)6-7-13(18)20-9-10-4-3-5-11(15)14(10)16/h3-5H,2,6-9H2,1H3 |
| InChIKey |
BSFODSQJHBLKEO-UHFFFAOYSA-N |
| Molecular Weight |
319.184 g/mol |
| SMILES |
C1=CC=C(C(=C1Cl)Cl)COC(=O)CCC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.882739 |
