| SpectraBase Spectrum ID |
6v6BLlXft4X |
| Name |
Succinic acid, 2,4,6-trichlorophenyl 2,3,4-trifluorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.944026323 u |
| Formula |
C16H8Cl3F3O4 |
| InChI |
InChI=1S/C16H8Cl3F3O4/c17-7-5-8(18)16(9(19)6-7)26-13(24)4-3-12(23)25-11-2-1-10(20)14(21)15(11)22/h1-2,5-6H,3-4H2 |
| InChIKey |
IWVWDAVTJCOBAV-UHFFFAOYSA-N |
| Molecular Weight |
427.590 g/mol |
| SMILES |
C(CC(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)C(OC1=C(C(=C(C=C1)F)F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945869 |
