| SpectraBase Spectrum ID |
BTLm68SwRST |
| Name |
L-Alanine, N-octanoyl-, hexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.246043924 u |
| Formula |
C17H33NO3 |
| InChI |
InChI=1S/C17H33NO3/c1-4-6-8-10-11-13-16(19)18-15(3)17(20)21-14-12-9-7-5-2/h15H,4-14H2,1-3H3,(H,18,19) |
| InChIKey |
DLQYENZTBMWBSE-UHFFFAOYSA-N |
| Molecular Weight |
299.455 g/mol |
| SMILES |
CCCCCCCC(NC(C)C(OCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976738 |
