| SpectraBase Spectrum ID |
7Sva3ttnOf9 |
| Name |
Succinic acid, 2,4-dichlorobenzyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.058214456 u |
| Formula |
C15H18Cl2O4 |
| InChI |
InChI=1S/C15H18Cl2O4/c1-10(2)8-20-14(18)5-6-15(19)21-9-11-3-4-12(16)7-13(11)17/h3-4,7,10H,5-6,8-9H2,1-2H3 |
| InChIKey |
JSXMWLPPRDPWSQ-UHFFFAOYSA-N |
| Molecular Weight |
333.211 g/mol |
| SMILES |
C(CCC(OCC1=CC=C(C=C1Cl)Cl)=O)(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845026 |
