| SpectraBase Spectrum ID |
LcXZMVxrAM7 |
| Name |
Fumaric acid, di(2,3-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/c17-9-3-1-5-11(15(9)19)23-13(21)7-8-14(22)24-12-6-2-4-10(18)16(12)20/h1-8H/b8-7+ |
| InChIKey |
FNCZEINJVPGYKO-BQYQJAHWSA-N |
| Molecular Weight |
406.048 g/mol |
| SMILES |
C1=C(C(Cl)=C(C=C1)OC(\C=C\C(OC1=CC=CC(=C1Cl)Cl)=O)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902002 |
