| SpectraBase Spectrum ID |
GHhBvusmDS0 |
| Name |
2,4-Dibromo-1,3,5-trinitrobenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.823210758 u |
| Formula |
C6HBr2N3O6 |
| InChI |
InChI=1S/C6HBr2N3O6/c7-4-2(9(12)13)1-3(10(14)15)5(8)6(4)11(16)17/h1H |
| InChIKey |
WTHRTSHMOCVSMH-UHFFFAOYSA-N |
| Molecular Weight |
370.897 g/mol |
| SMILES |
C1(Br)=C(C(=C(C=C1N(=O)=O)N(=O)=O)Br)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950451 |
