| SpectraBase Spectrum ID |
iQBUh4vGy4 |
| Name |
Pent-4-enoylamide, 2-methyl-N-(2-butyl)-N-octadecyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
421.428365394 u |
| Formula |
C28H55NO |
| InChI |
InChI=1S/C28H55NO/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-29(27(5)8-3)28(30)26(4)24-7-2/h7,26-27H,2,6,8-25H2,1,3-5H3 |
| InChIKey |
OJTNHVFLKIBCPQ-UHFFFAOYSA-N |
| Molecular Weight |
421.754 g/mol |
| SMILES |
C=CCC(C(N(C(C)CC)CCCCCCCCCCCCCCCCCC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925456 |
