| SpectraBase Spectrum ID |
C937brqCpBZ |
| Name |
N-(2-Chloro-6-nitro-phenyl)-4-nitro-benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.015248065 u |
| Formula |
C13H8ClN3O5 |
| InChI |
InChI=1S/C13H8ClN3O5/c14-10-2-1-3-11(17(21)22)12(10)15-13(18)8-4-6-9(7-5-8)16(19)20/h1-7H,(H,15,18) |
| InChIKey |
DTNABIRJVUADBV-UHFFFAOYSA-N |
| Molecular Weight |
321.676 g/mol |
| SMILES |
C1(=C(C=CC=C1Cl)N(=O)=O)NC(=O)C1=CC=C(N(=O)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940011 |
