| SpectraBase Spectrum ID |
Ch5uHA1QpcC |
| Name |
Succinic acid, ethyl 2,3,6-trichlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
323.972291930 u |
| Formula |
C12H11Cl3O4 |
| InChI |
InChI=1S/C12H11Cl3O4/c1-2-18-9(16)5-6-10(17)19-12-8(14)4-3-7(13)11(12)15/h3-4H,2,5-6H2,1H3 |
| InChIKey |
VQAWDMHUBWVGEG-UHFFFAOYSA-N |
| Molecular Weight |
325.575 g/mol |
| SMILES |
C(C(OC1=C(C=CC(=C1Cl)Cl)Cl)=O)CC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850968 |
