SpectraBase Spectrum ID |
66bjwIDDekO |
Name |
Valeramide, 2-propyl-N-octadecyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
395.412715330 u |
Formula |
C26H53NO |
InChI |
InChI=1S/C26H53NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-26(28)25(22-5-2)23-6-3/h25H,4-24H2,1-3H3,(H,27,28) |
InChIKey |
DFHYBAZZTXUJPW-UHFFFAOYSA-N |
Molecular Weight |
395.716 g/mol |
SMILES |
CCCC(C(NCCCCCCCCCCCCCCCCCC)=O)CCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930128 |