| SpectraBase Spectrum ID |
6F013z2zUef |
| Name |
L-Allylglycine, N-neopentyloxycarbonyl-, butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
285.194008349 u |
| Formula |
C15H27NO4 |
| InChI |
InChI=1S/C15H27NO4/c1-6-8-10-19-13(17)12(9-7-2)16-14(18)20-11-15(3,4)5/h7,12H,2,6,8-11H2,1,3-5H3,(H,16,18) |
| InChIKey |
JXEXLKDZWJVMNN-UHFFFAOYSA-N |
| SMILES |
CCCCOC(C(NC(OCC(C)(C)C)=O)CC=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.806769 |
