SpectraBase Spectrum ID |
L26uafU6wyx |
Name |
Benzamide, N-(2-butyl)-N-hexadecyl- |
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/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-24-28(25(3)5-2)27(29)26-22-19-18-20-23-26/h18-20,22-23,25H,4-17,21,24H2,1-3H3 |
InChIKey |
UIXVSEJIAFLTOW-UHFFFAOYSA-N |
Molecular Weight |
401.679 g/mol |
SMILES |
C(N(CCCCCCCCCCCCCCCC)C(CC)C)(=O)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859579 |