| SpectraBase Spectrum ID |
7iIYQE5RB5v |
| Name |
L-Alanine, N-ethoxycarbonyl-, pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
231.147058156 u |
| Formula |
C11H21NO4 |
| InChI |
InChI=1S/C11H21NO4/c1-4-6-7-8-16-10(13)9(3)12-11(14)15-5-2/h9H,4-8H2,1-3H3,(H,12,14) |
| InChIKey |
ZKVSNJAWCFKQHT-UHFFFAOYSA-N |
| Molecular Weight |
231.292 g/mol |
| SMILES |
CCOC(NC(C(OCCCCC)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892476 |
