SpectraBase Spectrum ID |
DZ9EKyry0dj |
Name |
Benzamide, N-(3-chlorophenyl)-3-methoxy- |
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/c1-18-13-7-2-4-10(8-13)14(17)16-12-6-3-5-11(15)9-12/h2-9H,1H3,(H,16,17) |
InChIKey |
ZJTFEWWZCZJCIL-UHFFFAOYSA-N |
Molecular Weight |
261.708 g/mol |
SMILES |
C1(=CC(=CC=C1)C(NC1=CC(=CC=C1)Cl)=O)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843145 |