| SpectraBase Spectrum ID |
3M12GG3itfX |
| Name |
Benzenamine, 2-nitro-N-(4-nitrophenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
259.059305778 u |
| Formula |
C12H9N3O4 |
| InChI |
InChI=1S/C12H9N3O4/c16-14(17)10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)15(18)19/h1-8,13H |
| InChIKey |
TXJIDOLTOGSNPD-UHFFFAOYSA-N |
| Molecular Weight |
259.221 g/mol |
| SMILES |
C1(NC2=CC=C(C=C2)N(=O)=O)=C(N(=O)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97242 |
