| SpectraBase Spectrum ID |
2YrZHj7AtFR |
| Name |
Fumaric acid, 2,4-dichlorophenyl 2,4,6-trichlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
437.878697201 u |
| Formula |
C16H7Cl5O4 |
| InChI |
InChI=1S/C16H7Cl5O4/c17-8-1-2-13(10(19)5-8)24-14(22)3-4-15(23)25-16-11(20)6-9(18)7-12(16)21/h1-7H/b4-3+ |
| InChIKey |
LMDUOJOQINADIB-ONEGZZNKSA-N |
| Molecular Weight |
440.493 g/mol |
| SMILES |
C(\C=C\C(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)(OC1=C(C=C(C=C1)Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897371 |
