| SpectraBase Spectrum ID |
5Ln9O41oO4t |
| Name |
L-Alanine, N-octanoyl-, isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
271.214743795 u |
| Formula |
C15H29NO3 |
| InChI |
InChI=1S/C15H29NO3/c1-5-6-7-8-9-10-14(17)16-13(4)15(18)19-11-12(2)3/h12-13H,5-11H2,1-4H3,(H,16,17) |
| InChIKey |
MHJWPGIYZTYMCE-UHFFFAOYSA-N |
| Molecular Weight |
271.401 g/mol |
| SMILES |
CCCCCCCC(NC(C(OCC(C)C)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887127 |
