SpectraBase Spectrum ID |
A7UU8H7pzHI |
Name |
Benzamide, N-(3-chlorophenyl)-4-methyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
245.060741709 u |
Formula |
C14H12ClNO |
InChI |
InChI=1S/C14H12ClNO/c1-10-5-7-11(8-6-10)14(17)16-13-4-2-3-12(15)9-13/h2-9H,1H3,(H,16,17) |
InChIKey |
RUYDNAMXAAGBCA-UHFFFAOYSA-N |
Molecular Weight |
245.709 g/mol |
SMILES |
C1(=CC=C(C=C1)C(NC=1C=C(C=CC1)Cl)=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921393 |