SpectraBase Spectrum ID |
HXnlfpOYcOd |
Name |
Propionamide, 3-chloro-N-(2-butyl)-N-octadecyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
415.358092933 u |
Formula |
C25H50ClNO |
InChI |
InChI=1S/C25H50ClNO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27(24(3)5-2)25(28)21-22-26/h24H,4-23H2,1-3H3 |
InChIKey |
ZHVMCRNPVLHXQM-UHFFFAOYSA-N |
Molecular Weight |
416.134 g/mol |
SMILES |
C(C(=O)N(CCCCCCCCCCCCCCCCCC)C(CC)C)CCl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91055 |