SpectraBase Spectrum ID |
4TtNi5x4pwR |
Name |
Benzamide, N-(4-bromophenyl)-3-bromo- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
352.905089913 u |
Formula |
C13H9Br2NO |
InChI |
InChI=1S/C13H9Br2NO/c14-10-4-6-12(7-5-10)16-13(17)9-2-1-3-11(15)8-9/h1-8H,(H,16,17) |
InChIKey |
RNMIDZORNPWDTP-UHFFFAOYSA-N |
Molecular Weight |
355.029 g/mol |
SMILES |
C1=CC=C(C=C1Br)C(NC1=CC=C(C=C1)Br)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929796 |