| SpectraBase Spectrum ID |
Co2e67gSnO7 |
| Name |
Alanylalanine, N,N'-dimethyl-N'-methoxycarbonyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.137221747 u |
| Formula |
C11H20N2O5 |
| InChI |
InChI=1S/C11H20N2O5/c1-7(13(4)11(16)18-6)9(14)12(3)8(2)10(15)17-5/h7-8H,1-6H3 |
| InChIKey |
NUCMXQOEUFZYDD-UHFFFAOYSA-N |
| Molecular Weight |
260.290 g/mol |
| SMILES |
COC(C(N(C(=O)C(N(C)C(OC)=O)C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847181 |
