SpectraBase Spectrum ID |
AfnxcK4geTv |
Name |
4-Chloro-N-(4-isopropylphenyl)benzamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
273.092041838 u |
Formula |
C16H16ClNO |
InChI |
InChI=1S/C16H16ClNO/c1-11(2)12-5-9-15(10-6-12)18-16(19)13-3-7-14(17)8-4-13/h3-11H,1-2H3,(H,18,19) |
InChIKey |
OHAHZLOBTHYVNB-UHFFFAOYSA-N |
SMILES |
C1(Cl)=CC=C(C=C1)C(=O)NC1=CC=C(C=C1)C(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918918 |