| SpectraBase Spectrum ID |
ilLPfBCofr |
| Name |
L-Leucine, N-methyl-N-(N-propyloxycarbonyl)-, methyl 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/c1-6-7-17-12(15)13(4)10(8-9(2)3)11(14)16-5/h9-10H,6-8H2,1-5H3 |
| InChIKey |
LKNVVUXMQUPOKT-UHFFFAOYSA-N |
| Molecular Weight |
245.319 g/mol |
| SMILES |
CC(CC(C(OC)=O)N(C)C(OCCC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903403 |
