SpectraBase Spectrum ID |
BnSgGAtloKl |
Name |
N-(4-Chlorophenyl)-3-methoxybenzamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
261.055656328 u |
Formula |
C14H12ClNO2 |
InChI |
InChI=1S/C14H12ClNO2/c1-18-13-4-2-3-10(9-13)14(17)16-12-7-5-11(15)6-8-12/h2-9H,1H3,(H,16,17) |
InChIKey |
PTEBQUFBDQXFFF-UHFFFAOYSA-N |
Molecular Weight |
261.708 g/mol |
SMILES |
C(NC=1C=CC(=CC1)Cl)(C1=CC(=CC=C1)OC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856851 |