| SpectraBase Spectrum ID |
BzpNdQ8vJ3m |
| Name |
3'-Bromo-2,4-dinitrodiphenylamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.969818746 u |
| Formula |
C12H8BrN3O4 |
| InChI |
InChI=1S/C12H8BrN3O4/c13-8-2-1-3-9(6-8)14-11-5-4-10(15(17)18)7-12(11)16(19)20/h1-7,14H |
| InChIKey |
LAXLMVBTYBGCRY-UHFFFAOYSA-N |
| Molecular Weight |
338.117 g/mol |
| SMILES |
C1=C(NC2=CC=C(C=C2N(=O)=O)N(=O)=O)C=CC=C1Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970291 |
