SpectraBase Spectrum ID |
8fFbm9QG0Z7 |
Name |
dl-Norleucine, N-allyloxycarbonyl-, ethyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
243.147058156 u |
Formula |
C12H21NO4 |
InChI |
InChI=1S/C12H21NO4/c1-4-7-8-10(11(14)16-6-3)13-12(15)17-9-5-2/h5,10H,2,4,6-9H2,1,3H3,(H,13,15) |
InChIKey |
KAMMVLUNDYFYKV-UHFFFAOYSA-N |
Molecular Weight |
243.303 g/mol |
SMILES |
C(OCC=C)(NC(C(=O)OCC)CCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813513 |