| SpectraBase Spectrum ID |
DSq2z4c0wD7 |
| Name |
2,2',4,4',6,6'-Hexanitrodiphenylamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
438.999618617 u |
| Formula |
C12H5N7O12 |
| InChI |
InChI=1S/C12H5N7O12/c20-14(21)5-1-7(16(24)25)11(8(2-5)17(26)27)13-12-9(18(28)29)3-6(15(22)23)4-10(12)19(30)31/h1-4,13H |
| InChIKey |
CBCIHIVRDWLAME-UHFFFAOYSA-N |
| Molecular Weight |
439.209 g/mol |
| SMILES |
N(=O)(=O)C1=CC(=CC(=C1NC=1C(=CC(=CC1N(=O)=O)N(=O)=O)N(=O)=O)N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.998578 |
