| SpectraBase Spectrum ID |
ETGzPRDhawC |
| Name |
5-oxo-1-Phenyl-pyrrolidine-3-carboxylic acid (4-bromo-benzylidene)-hydrazide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
385.042589765 u |
| Formula |
C18H16BrN3O2 |
| InChI |
InChI=1S/C18H16BrN3O2/c19-15-8-6-13(7-9-15)11-20-21-18(24)14-10-17(23)22(12-14)16-4-2-1-3-5-16/h1-9,11,14H,10,12H2,(H,21,24)/b20-11+ |
| InChIKey |
LWTIFBHJAVNUHK-RGVLZGJSSA-N |
| Molecular Weight |
386.249 g/mol |
| SMILES |
C1=CC=C(N2C(CC(C2)C(N\N=C\C2=CC=C(C=C2)Br)=O)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961503 |
