SpectraBase Spectrum ID |
EaiI0ReaR6K |
Name |
N-Carboxy-L-leucine, N-benzyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
265.131408092 u |
Formula |
C14H19NO4 |
InChI |
InChI=1S/C14H19NO4/c1-10(2)8-12(13(16)17)15-14(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)(H,16,17) |
InChIKey |
USPFMEKVPDBMCG-UHFFFAOYSA-N |
Molecular Weight |
265.309 g/mol |
SMILES |
N(C(OCC1=CC=CC=C1)=O)C(C(=O)O)CC(C)C |
Spectrum/Structure Validation Score (Raman) |
0.98541 |