| SpectraBase Spectrum ID |
KlKd22Ay4Zf |
| Name |
Diethyl 2-[(E)-1-benzoyl-2-(4-bromobenzylidene)hydrazinyl]fumarate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
472.063384779 u |
| Formula |
C22H21BrN2O5 |
| InChI |
InChI=1S/C22H21BrN2O5/c1-3-29-20(26)14-19(22(28)30-4-2)25(21(27)17-8-6-5-7-9-17)24-15-16-10-12-18(23)13-11-16/h5-15H,3-4H2,1-2H3/b19-14-,24-15+ |
| InChIKey |
LGEVJLXMYCNQLL-MECGSCCCSA-N |
| Molecular Weight |
473.323 g/mol |
| SMILES |
C(N(\C(=C/C(=O)OCC)C(=O)OCC)\N=C\C=1C=CC(=CC1)Br)(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971404 |
![Diethyl 2-[(E)-1-benzoyl-2-(4-bromobenzylidene)hydrazinyl]fumarate](/api/spectrum/KlKd22Ay4Zf/structure.png?h=300&w=458 "Diethyl 2-[(E)-1-benzoyl-2-(4-bromobenzylidene)hydrazinyl]fumarate")
