| SpectraBase Spectrum ID |
FEu7gpKx2pU |
| Name |
2-Amino-3-bromo-5-nitrobenzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.959254062 u |
| Formula |
C7H6BrN3O3 |
| InChI |
InChI=1S/C7H6BrN3O3/c8-5-2-3(11(13)14)1-4(6(5)9)7(10)12/h1-2H,9H2,(H2,10,12) |
| InChIKey |
YWTDYGIJZWEQIK-UHFFFAOYSA-N |
| Molecular Weight |
260.047 g/mol |
| SMILES |
C1(N(=O)=O)=CC(Br)=C(C(=C1)C(N)=O)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946282 |
