| SpectraBase Spectrum ID |
7C6Q4Gamhfw |
| Name |
Succinic acid, 2,4,6-trichlorophenyl 2,2,2-trichloroethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.855374934 u |
| Formula |
C12H8Cl6O4 |
| InChI |
InChI=1S/C12H8Cl6O4/c13-6-3-7(14)11(8(15)4-6)22-10(20)2-1-9(19)21-5-12(16,17)18/h3-4H,1-2,5H2 |
| InChIKey |
GNXCORFQNNSESA-UHFFFAOYSA-N |
| Molecular Weight |
428.910 g/mol |
| SMILES |
C(CC(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)C(OCC(Cl)(Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950367 |
