SpectraBase Spectrum ID |
77axDEYXmGw |
Name |
4'-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/c13-8-1-3-9(4-2-8)14-11-6-5-10(15(17)18)7-12(11)16(19)20/h1-7,14H |
InChIKey |
CSJQUFZYIASQTA-UHFFFAOYSA-N |
Molecular Weight |
338.117 g/mol |
SMILES |
N(C=1C=CC(=CC1)Br)C=1C(=CC(=CC1)N(=O)=O)N(=O)=O |
Spectrum/Structure Validation Score (Raman) |
0.974316 |