SpectraBase Spectrum ID |
1BMGtoq5rn9 |
Name |
gly-val, N-(Isopropyloxycarbonyl)-, methyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
274.152871811 u |
Formula |
C12H22N2O5 |
InChI |
InChI=1S/C12H22N2O5/c1-7(2)10(11(16)18-5)14-9(15)6-13-12(17)19-8(3)4/h7-8,10H,6H2,1-5H3,(H,13,17)(H,14,15) |
InChIKey |
GQWMTZSAAFYOSE-UHFFFAOYSA-N |
SMILES |
C(C(=O)OC)(NC(=O)CNC(OC(C)C)=O)C(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832207 |