SpectraBase Spectrum ID |
B78EjXPxR5h |
Name |
Benzamide, 4-ethyl-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/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-28-27(29)26-22-20-25(4-2)21-23-26/h20-23H,3-19,24H2,1-2H3,(H,28,29) |
InChIKey |
DELGAQURBMJYDZ-UHFFFAOYSA-N |
Molecular Weight |
401.679 g/mol |
SMILES |
C1=C(C=CC(=C1)CC)C(NCCCCCCCCCCCCCCCCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812078 |