| SpectraBase Spectrum ID |
DDPUFV7Y9hg |
| Name |
2',4'-Dibromo-2,4,6-trinitrodiphenylamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
459.865409923 u |
| Formula |
C12H6Br2N4O6 |
| InChI |
InChI=1S/C12H6Br2N4O6/c13-6-1-2-9(8(14)3-6)15-12-10(17(21)22)4-7(16(19)20)5-11(12)18(23)24/h1-5,15H |
| InChIKey |
FHFGBCWCPLINGR-UHFFFAOYSA-N |
| Molecular Weight |
462.010 g/mol |
| SMILES |
N(C=1C(=CC(=CC1N(=O)=O)N(=O)=O)N(=O)=O)C=1C=CC(=CC1Br)Br |
| Spectrum/Structure Validation Score (Raman) |
0.960495 |
