SpectraBase Spectrum ID |
Iqh62gbmpBY |
Name |
Benzamide, 4-chloro-3-methyl-N-allyl-N-(2-ethylhexyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
321.185942225 u |
Formula |
C19H28ClNO |
InChI |
InChI=1S/C19H28ClNO/c1-5-8-9-16(7-3)14-21(12-6-2)19(22)17-10-11-18(20)15(4)13-17/h6,10-11,13,16H,2,5,7-9,12,14H2,1,3-4H3 |
InChIKey |
ZLYYGPUHJXVUJV-UHFFFAOYSA-N |
Molecular Weight |
321.892 g/mol |
SMILES |
C(N(CC(CCCC)CC)CC=C)(=O)C=1C=C(C(=CC1)Cl)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912728 |