SpectraBase Spectrum ID |
C4YuvFuqpTr |
Name |
L-Leucine, N-(2-methoxyethoxycarbonyl)-, propyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
275.173272904 u |
Formula |
C13H25NO5 |
InChI |
InChI=1S/C13H25NO5/c1-5-6-18-12(15)11(9-10(2)3)14-13(16)19-8-7-17-4/h10-11H,5-9H2,1-4H3,(H,14,16) |
InChIKey |
PZDCBFAVGRJRCR-UHFFFAOYSA-N |
Molecular Weight |
275.345 g/mol |
SMILES |
COCCOC(NC(CC(C)C)C(OCCC)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846658 |