| SpectraBase Spectrum ID |
9J0H0zX8jJ0 |
| Name |
Valeramide, 2-methyl-N-benzyl-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/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27-32(31(33)29(3)24-5-2)28-30-25-21-20-22-26-30/h20-22,25-26,29H,4-19,23-24,27-28H2,1-3H3 |
| InChIKey |
SIOYQZYKWPHTJJ-UHFFFAOYSA-N |
| Molecular Weight |
457.787 g/mol |
| SMILES |
C(=O)(N(CCCCCCCCCCCCCCCCCC)CC1=CC=CC=C1)C(C)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885397 |
