SpectraBase Spectrum ID |
LsKpDBKWboK |
Name |
N(1)-(2,4-Dinitrophenyl)-4-methyl-m-phenylenediamine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
288.085854878 u |
Formula |
C13H12N4O4 |
InChI |
InChI=1S/C13H12N4O4/c1-8-2-3-9(6-11(8)14)15-12-5-4-10(16(18)19)7-13(12)17(20)21/h2-7,15H,14H2,1H3 |
InChIKey |
RBNOUDPBTDVYIC-UHFFFAOYSA-N |
Molecular Weight |
288.263 g/mol |
SMILES |
C1(NC2=CC=C(C=C2N(=O)=O)N(=O)=O)=CC(=C(C=C1)C)N |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969583 |