SpectraBase Spectrum ID |
1U5lBioULCz |
Name |
Benzamide, 4-chloro-N-benzyl-N-butyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
301.123341967 u |
Formula |
C18H20ClNO |
InChI |
InChI=1S/C18H20ClNO/c1-2-3-13-20(14-15-7-5-4-6-8-15)18(21)16-9-11-17(19)12-10-16/h4-12H,2-3,13-14H2,1H3 |
InChIKey |
LUFCZWJTJIHYLJ-UHFFFAOYSA-N |
SMILES |
C(N(CCCC)CC1=CC=CC=C1)(=O)C=1C=CC(=CC1)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.821638 |