SpectraBase Spectrum ID |
28dhwxnG1xF |
Name |
Benzamide, N-(1-naphthyl)-3-bromo- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
325.010227009 u |
Formula |
C17H12BrNO |
InChI |
InChI=1S/C17H12BrNO/c18-14-8-3-7-13(11-14)17(20)19-16-10-4-6-12-5-1-2-9-15(12)16/h1-11H,(H,19,20) |
InChIKey |
XKNZEZOUWZIZTR-UHFFFAOYSA-N |
Molecular Weight |
326.193 g/mol |
SMILES |
C1(=CC(=CC=C1)C(NC1=CC=CC2=CC=CC=C12)=O)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928707 |