| SpectraBase Spectrum ID |
Glh09I3wrUw |
| Name |
Benzamide, 3-methyl-N-(2-pentyl)-N-octadecyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
457.428365394 u |
| Formula |
C31H55NO |
| InChI |
InChI=1S/C31H55NO/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-32(29(4)23-6-2)31(33)30-25-22-24-28(3)27-30/h22,24-25,27,29H,5-21,23,26H2,1-4H3 |
| InChIKey |
GSRJJJRBYYKQLK-UHFFFAOYSA-N |
| Molecular Weight |
457.787 g/mol |
| SMILES |
C(N(CCCCCCCCCCCCCCCCCC)C(CCC)C)(=O)C=1C=C(C=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.805835 |
