| SpectraBase Spectrum ID |
4EK2vX8sjtS |
| Name |
L-Allylglycine, N-butoxycarbonyl-, butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
271.178358285 u |
| Formula |
C14H25NO4 |
| InChI |
InChI=1S/C14H25NO4/c1-4-7-10-18-13(16)12(9-6-3)15-14(17)19-11-8-5-2/h6,12H,3-5,7-11H2,1-2H3,(H,15,17) |
| InChIKey |
CLKYVNHMSWHXCA-UHFFFAOYSA-N |
| Molecular Weight |
271.357 g/mol |
| SMILES |
C(C(NC(OCCCC)=O)CC=C)(=O)OCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932474 |
