| SpectraBase Spectrum ID |
D5aFspV5brC |
| Name |
N-(2,4,6-Trinitrophenyl)-p-phenylenediamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.055283024 u |
| Formula |
C12H9N5O6 |
| InChI |
InChI=1S/C12H9N5O6/c13-7-1-3-8(4-2-7)14-12-10(16(20)21)5-9(15(18)19)6-11(12)17(22)23/h1-6,14H,13H2 |
| InChIKey |
QNVCUILTTLHMCW-UHFFFAOYSA-N |
| Molecular Weight |
319.233 g/mol |
| SMILES |
C1(=C(C(=CC(=C1)N(=O)=O)N(=O)=O)NC1=CC=C(C=C1)N)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937434 |
