| SpectraBase Spectrum ID |
78HRwUm5Ve9 |
| Name |
L-Alanine, N-butoxycarbonyl-, pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
259.178358285 u |
| Formula |
C13H25NO4 |
| InChI |
InChI=1S/C13H25NO4/c1-4-6-8-10-17-12(15)11(3)14-13(16)18-9-7-5-2/h11H,4-10H2,1-3H3,(H,14,16) |
| InChIKey |
WUDCQZHJRHIZQG-UHFFFAOYSA-N |
| Molecular Weight |
259.346 g/mol |
| SMILES |
CCCCOC(NC(C(OCCCCC)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915205 |
