| SpectraBase Spectrum ID |
9rC1yWhN40E |
| Name |
3-Pyridinecarboxylic acid, N'-(5,7-dibromo-1,2-dihydro-2-oxo-3H-indol-3-yliden)hydrazide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
421.901401512 u |
| Formula |
C14H8Br2N4O2 |
| InChI |
InChI=1S/C14H8Br2N4O2/c15-8-4-9-11(10(16)5-8)18-14(22)12(9)19-20-13(21)7-2-1-3-17-6-7/h1-6H,(H,20,21)(H,18,19,22) |
| InChIKey |
CGVVIIMYKCYTEK-UHFFFAOYSA-N |
| Molecular Weight |
424.052 g/mol |
| SMILES |
C1=2\C(C(NC2C(Br)=CC(=C1)Br)=O)=N\NC(C1=CN=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.811053 |
