| SpectraBase Spectrum ID |
IXv50HJyzce |
| Name |
5-Bromo-2-(2-hydroxy-5-nitrobenzylideneamino)benzonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.974904127 u |
| Formula |
C14H8BrN3O3 |
| InChI |
InChI=1S/C14H8BrN3O3/c15-11-1-3-13(9(5-11)7-16)17-8-10-6-12(18(20)21)2-4-14(10)19/h1-6,8,19H/b17-8+ |
| InChIKey |
PNTOYBMBTMHBJK-CAOOACKPSA-N |
| Molecular Weight |
346.140 g/mol |
| SMILES |
Oc1c(\C=N\c2c(cc(cc2)Br)C#N)cc(cc1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884579 |
