SpectraBase Spectrum ID |
f6TBRfOdnU |
Name |
4-Nitro-N~2~-[(3-nitrophenyl)methylidene]-1,2-benzenediamine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
286.070204814 u |
Formula |
C13H10N4O4 |
InChI |
InChI=1S/C13H10N4O4/c14-12-5-4-11(17(20)21)7-13(12)15-8-9-2-1-3-10(6-9)16(18)19/h1-8H,14H2/b15-8+ |
InChIKey |
DKUJZTYZNRDXNZ-OVCLIPMQSA-N |
SMILES |
C=1C=CC(N(=O)=O)=CC1\C=N\C=1C=C(N(=O)=O)C=CC1N |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961097 |