| SpectraBase Spectrum ID |
5rRWZYQANg7 |
| Name |
Alanine, N-(2,2-diethyl-3-oxo-.beta.-alanyl)-2-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.142307128 u |
| Formula |
C11H20N2O4 |
| InChI |
InChI=1S/C11H20N2O4/c1-5-11(6-2,7(12)14)8(15)13-10(3,4)9(16)17/h5-6H2,1-4H3,(H2,12,14)(H,13,15)(H,16,17) |
| InChIKey |
AHUJDLDPQJZTLA-UHFFFAOYSA-N |
| Molecular Weight |
244.291 g/mol |
| SMILES |
C(C(NC(C(=O)O)(C)C)=O)(C(=O)N)(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921924 |
