SpectraBase Spectrum ID |
CnMq2mKkzuY |
Name |
Benzamide, N-(3-chlorophenyl)-3-bromo- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
308.955604613 u |
Formula |
C13H9BrClNO |
InChI |
InChI=1S/C13H9BrClNO/c14-10-4-1-3-9(7-10)13(17)16-12-6-2-5-11(15)8-12/h1-8H,(H,16,17) |
InChIKey |
NJSBTVPSISSHNU-UHFFFAOYSA-N |
Molecular Weight |
310.578 g/mol |
SMILES |
C1=CC=C(C=C1Br)C(NC1=CC(=CC=C1)Cl)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886433 |