SpectraBase Spectrum ID |
7inB6THNkeL |
Name |
Hexanamide, N-(3,5-dimethylbenzyl)-N-octadecyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
485.459665523 u |
Formula |
C33H59NO |
InChI |
InChI=1S/C33H59NO/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-34(33(35)24-22-8-6-2)29-32-27-30(3)26-31(4)28-32/h26-28H,5-25,29H2,1-4H3 |
InChIKey |
HAUSCEHXISJMMG-UHFFFAOYSA-N |
Molecular Weight |
485.841 g/mol |
SMILES |
C(N(CC1=CC(=CC(C)=C1)C)C(=O)CCCCC)CCCCCCCCCCCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91649 |