| SpectraBase Spectrum ID |
HjEy8L0FQMv |
| Name |
Fumaric acid, di(2,4-dichlorophenyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
403.917669534 u |
| Formula |
C16H8Cl4O4 |
| InChI |
InChI=1S/C16H8Cl4O4/c17-9-1-3-13(11(19)7-9)23-15(21)5-6-16(22)24-14-4-2-10(18)8-12(14)20/h1-8H/b6-5+ |
| InChIKey |
LYENZPAFXQCIOX-AATRIKPKSA-N |
| Molecular Weight |
406.048 g/mol |
| SMILES |
C1(=CC=C(C=C1Cl)Cl)OC(\C=C\C(=O)OC1=C(C=C(C=C1)Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967604 |
