| SpectraBase Spectrum ID |
6zbKbKNJpVU |
| Name |
4-Chloro-2,6-dinitro-N-(pyridin-2-ylmethyl)aniline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.031232482 u |
| Formula |
C12H9ClN4O4 |
| InChI |
InChI=1S/C12H9ClN4O4/c13-8-5-10(16(18)19)12(11(6-8)17(20)21)15-7-9-3-1-2-4-14-9/h1-6,15H,7H2 |
| InChIKey |
UYGVWGSEUBROHN-UHFFFAOYSA-N |
| Molecular Weight |
308.681 g/mol |
| SMILES |
C1(=C(C=C(C=C1N(=O)=O)Cl)N(=O)=O)NCC1=NC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974191 |
