| SpectraBase Spectrum ID |
HyiRI7t1MWH |
| Name |
3,5-Dinitrobenzoic acid, compound with p-phenylenediamine |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.075684116 u |
| Formula |
C13H12N4O6 |
| InChI |
InChI=1S/C7H4N2O6.C6H8N2/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;7-5-1-2-6(8)4-3-5/h1-3H,(H,10,11);1-4H,7-8H2 |
| InChIKey |
IZPWHPHNGCJGDF-UHFFFAOYSA-N |
| Molecular Weight |
320.261 g/mol |
| SMILES |
OC(C1=CC(=CC(=C1)N(=O)=O)N(=O)=O)=O.NC1=CC=C(C=C1)N |
