SpectraBase Spectrum ID |
5P5ui88xkhz |
Name |
2-Nitro-4-aminodiphenylamine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
229.085126604 u |
Formula |
C12H11N3O2 |
InChI |
InChI=1S/C12H11N3O2/c13-9-6-7-11(12(8-9)15(16)17)14-10-4-2-1-3-5-10/h1-8,14H,13H2 |
InChIKey |
WHJNKCNHEVCICH-UHFFFAOYSA-N |
Molecular Weight |
229.239 g/mol |
SMILES |
C1(N(=O)=O)=C(C=CC(=C1)N)NC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960262 |