SpectraBase Spectrum ID |
6udMDvGA7aN |
Name |
Benzamide, 2-chloro-N-benzyl-N-hexyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
329.154642096 u |
Formula |
C20H24ClNO |
InChI |
InChI=1S/C20H24ClNO/c1-2-3-4-10-15-22(16-17-11-6-5-7-12-17)20(23)18-13-8-9-14-19(18)21/h5-9,11-14H,2-4,10,15-16H2,1H3 |
InChIKey |
WYZXZTYNUCAMCC-UHFFFAOYSA-N |
Molecular Weight |
329.871 g/mol |
SMILES |
C(N(CCCCCC)CC1=CC=CC=C1)(=O)C=1C(Cl)=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884627 |