| SpectraBase Spectrum ID |
AnfxouaIkYs |
| Name |
L-Alanine, N-octanoyl-, heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
453.418194632 u |
| Formula |
C28H55NO3 |
| InChI |
InChI=1S/C28H55NO3/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-21-23-25-32-28(31)26(3)29-27(30)24-22-20-9-7-5-2/h26H,4-25H2,1-3H3,(H,29,30) |
| InChIKey |
YKCCXAYFHJEJKH-UHFFFAOYSA-N |
| Molecular Weight |
453.752 g/mol |
| SMILES |
CCCCCCCC(NC(C)C(OCCCCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956984 |
