SpectraBase Spectrum ID |
3FzzxjOavbH |
Name |
Benzamide, 2-methyl-N-propyl-N-octadecyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
429.397065265 u |
Formula |
C29H51NO |
InChI |
InChI=1S/C29H51NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-30(25-5-2)29(31)28-24-21-20-23-27(28)3/h20-21,23-24H,4-19,22,25-26H2,1-3H3 |
InChIKey |
RZXXMWOTOFOSDV-UHFFFAOYSA-N |
Molecular Weight |
429.733 g/mol |
SMILES |
C(C1=CC=CC=C1C)(N(CCCCCCCCCCCCCCCCCC)CCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876844 |