| SpectraBase Spectrum ID |
IRFiGaiVTbq |
| Name |
1,3-Benzenediamine, 2,4,6-trinitro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
243.023982895 u |
| Formula |
C6H5N5O6 |
| InChI |
InChI=1S/C6H5N5O6/c7-4-2(9(12)13)1-3(10(14)15)5(8)6(4)11(16)17/h1H,7-8H2 |
| InChIKey |
FZAZPMLWYUKRAE-UHFFFAOYSA-N |
| Molecular Weight |
243.135 g/mol |
| Nominal Mass |
243 u |
| SMILES |
C1(=C(C=C(C(=C1N(=O)=O)N)N(=O)=O)N(=O)=O)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976833 |
