| SpectraBase Spectrum ID |
95HOkDK4QQ7 |
| Name |
L-Allylglycine, N-butoxycarbonyl-, isobutyl 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/c1-5-7-9-18-14(17)15-12(8-6-2)13(16)19-10-11(3)4/h6,11-12H,2,5,7-10H2,1,3-4H3,(H,15,17) |
| InChIKey |
JDFLHPFWQKLGIX-UHFFFAOYSA-N |
| Molecular Weight |
271.357 g/mol |
| SMILES |
C(NC(OCCCC)=O)(C(=O)OCC(C)C)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845066 |
