| SpectraBase Spectrum ID |
Dr7PF1MZwqN |
| Name |
Succinic acid, 4-chloro-3-methylphenyl 2,2-dichloroethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
337.987941995 u |
| Formula |
C13H13Cl3O4 |
| InChI |
InChI=1S/C13H13Cl3O4/c1-8-6-9(2-3-10(8)14)20-13(18)5-4-12(17)19-7-11(15)16/h2-3,6,11H,4-5,7H2,1H3 |
| InChIKey |
ADDGZXGBMPQNOM-UHFFFAOYSA-N |
| Molecular Weight |
339.602 g/mol |
| SMILES |
C(CC(OC1=CC(C)=C(C=C1)Cl)=O)C(OCC(Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942035 |
