| SpectraBase Compound ID | KUPCQjsSIOX |
|---|---|
| InChI | InChI=1S/C13H24N2O5/c1-5-7-8-10(12(17)19-4)15-11(16)9(3)14-13(18)20-6-2/h9-10H,5-8H2,1-4H3,(H,14,18)(H,15,16) |
| InChIKey | NPVFSLFVUWAIDW-UHFFFAOYSA-N |
| Mol Weight | 288.34 g/mol |
| Molecular Formula | C13H24N2O5 |
| Exact Mass | 288.168522 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KdsTsxomUlz |
|---|---|
| Name | L-ala-L-nle, N-(Ethoxycarbonyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.168521876 u |
| Formula | C13H24N2O5 |
| InChI | InChI=1S/C13H24N2O5/c1-5-7-8-10(12(17)19-4)15-11(16)9(3)14-13(18)20-6-2/h9-10H,5-8H2,1-4H3,(H,14,18)(H,15,16) |
| InChIKey | NPVFSLFVUWAIDW-UHFFFAOYSA-N |
| SMILES | C(C(NC(=O)C(C)NC(OCC)=O)C(=O)OC)CCC |