| SpectraBase Spectrum ID |
5m29DUZOXyz |
| Name |
2,3',4,6-Tetranitrodiphenylamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
349.029462197 u |
| Formula |
C12H7N5O8 |
| InChI |
InChI=1S/C12H7N5O8/c18-14(19)8-3-1-2-7(4-8)13-12-10(16(22)23)5-9(15(20)21)6-11(12)17(24)25/h1-6,13H |
| InChIKey |
QYIFJMJFFSIGIN-UHFFFAOYSA-N |
| Molecular Weight |
349.215 g/mol |
| SMILES |
N(C1=CC=CC(=C1)N(=O)=O)C=1C(=CC(=CC1N(=O)=O)N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.993105 |
