SpectraBase Spectrum ID |
IBd2iC4f2bb |
Name |
D-Norleucine, N-propoxycarbonyl-, ethyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
245.162708221 u |
Formula |
C12H23NO4 |
InChI |
InChI=1S/C12H23NO4/c1-4-7-8-10(11(14)16-6-3)13-12(15)17-9-5-2/h10H,4-9H2,1-3H3,(H,13,15) |
InChIKey |
JAKBONXJQTZOGQ-UHFFFAOYSA-N |
Molecular Weight |
245.319 g/mol |
SMILES |
C(OCCC)(NC(C(OCC)=O)CCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894514 |