| SpectraBase Spectrum ID |
DqHhIpCnfpc |
| Name |
4,4',4''-Trichloro-2,2',2'-trinitrotriphenylamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
481.958767120 u |
| Formula |
C18H9Cl3N4O6 |
| InChI |
InChI=1S/C18H9Cl3N4O6/c19-10-1-4-13(16(7-10)23(26)27)22(14-5-2-11(20)8-17(14)24(28)29)15-6-3-12(21)9-18(15)25(30)31/h1-9H |
| InChIKey |
QGXZPENTDGNCOP-UHFFFAOYSA-N |
| Molecular Weight |
483.651 g/mol |
| SMILES |
C1(N(C=2C(N(=O)=O)=CC(=CC2)Cl)C=2C(N(=O)=O)=CC(Cl)=CC2)=C(N(=O)=O)C=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961773 |
