| SpectraBase Spectrum ID |
81ZXyLrSl2A |
| Name |
Diethyl 2-[(E)-1-benzoyl-2-(3-chlorobenzylidene)hydrazinyl]fumarate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.113899479 u |
| Formula |
C22H21ClN2O5 |
| InChI |
InChI=1S/C22H21ClN2O5/c1-3-29-20(26)14-19(22(28)30-4-2)25(21(27)17-10-6-5-7-11-17)24-15-16-9-8-12-18(23)13-16/h5-15H,3-4H2,1-2H3/b19-14-,24-15+ |
| InChIKey |
LJCQOXDJFMQKGZ-MECGSCCCSA-N |
| Molecular Weight |
428.872 g/mol |
| SMILES |
C(N(\C(=C/C(=O)OCC)C(=O)OCC)\N=C\C=1C=C(Cl)C=CC1)(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971249 |
![Diethyl 2-[(E)-1-benzoyl-2-(3-chlorobenzylidene)hydrazinyl]fumarate](/api/spectrum/81ZXyLrSl2A/structure.png?h=300&w=458 "Diethyl 2-[(E)-1-benzoyl-2-(3-chlorobenzylidene)hydrazinyl]fumarate")
