| SpectraBase Spectrum ID |
HpYUM7wWof5 |
| Name |
L-Alanine, N-octanoyl-, octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
467.433844696 u |
| Formula |
C29H57NO3 |
| InChI |
InChI=1S/C29H57NO3/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-22-24-26-33-29(32)27(3)30-28(31)25-23-21-9-7-5-2/h27H,4-26H2,1-3H3,(H,30,31) |
| InChIKey |
DXZIGMVUAYATQN-UHFFFAOYSA-N |
| Molecular Weight |
467.779 g/mol |
| SMILES |
CCCCCCCC(NC(C)C(OCCCCCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964402 |
