SpectraBase Spectrum ID |
9J2hh8uvG0n |
Name |
L-Prolylglycine, N-ethoxycarbonyl-, ethyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
272.137221747 u |
Formula |
C12H20N2O5 |
InChI |
InChI=1S/C12H20N2O5/c1-3-18-10(15)8-13-11(16)9-6-5-7-14(9)12(17)19-4-2/h9H,3-8H2,1-2H3,(H,13,16) |
InChIKey |
KUDFOIXITUJOJK-UHFFFAOYSA-N |
SMILES |
CCOC(CNC(C1N(CCC1)C(=O)OCC)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929123 |