| SpectraBase Spectrum ID |
7SOLjF5ScfF |
| Name |
L-Allylglycine, N-ethoxycarbonyl-, pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
257.162708221 u |
| Formula |
C13H23NO4 |
| InChI |
InChI=1S/C13H23NO4/c1-4-7-8-10-18-12(15)11(9-5-2)14-13(16)17-6-3/h5,11H,2,4,6-10H2,1,3H3,(H,14,16) |
| InChIKey |
RDXFCTMXMWDSOQ-UHFFFAOYSA-N |
| Molecular Weight |
257.330 g/mol |
| SMILES |
CCOC(NC(C(OCCCCC)=O)CC=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919318 |
