| SpectraBase Spectrum ID |
KUe28q7Xe00 |
| Name |
3-Nitro-N-(2-pyridinyl)benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
243.064391159 u |
| Formula |
C12H9N3O3 |
| InChI |
InChI=1S/C12H9N3O3/c16-12(14-11-6-1-2-7-13-11)9-4-3-5-10(8-9)15(17)18/h1-8H,(H,13,14,16) |
| InChIKey |
YSNFSBABFQPALZ-UHFFFAOYSA-N |
| Molecular Weight |
243.222 g/mol |
| SMILES |
C1(N(=O)=O)=CC(=CC=C1)C(=O)NC1=NC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934541 |
