SpectraBase Spectrum ID |
LEbMexK40F5 |
Name |
Acetamide, N-benzyl-N-octadecyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
401.365765136 u |
Formula |
C27H47NO |
InChI |
InChI=1S/C27H47NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-28(26(2)29)25-27-22-19-18-20-23-27/h18-20,22-23H,3-17,21,24-25H2,1-2H3 |
InChIKey |
KISXKZLGFANGFA-UHFFFAOYSA-N |
Molecular Weight |
401.679 g/mol |
SMILES |
C(N(CCCCCCCCCCCCCCCCCC)CC1=CC=CC=C1)(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877903 |