| SpectraBase Compound ID | C3PVEBkSxXK |
|---|---|
| InChI | InChI=1S/C12H20N2O5/c1-4-19-12(17)13-8(2)10(15)14-7-5-6-9(14)11(16)18-3/h8-9H,4-7H2,1-3H3,(H,13,17) |
| InChIKey | RKRKKJFOGNGSDI-UHFFFAOYSA-N |
| Mol Weight | 272.3 g/mol |
| Molecular Formula | C12H20N2O5 |
| Exact Mass | 272.137222 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3XvXtaqgXel |
|---|---|
| Name | ala-pro, N-Ethoxycarbonyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.137221747 u |
| Formula | C12H20N2O5 |
| InChI | InChI=1S/C12H20N2O5/c1-4-19-12(17)13-8(2)10(15)14-7-5-6-9(14)11(16)18-3/h8-9H,4-7H2,1-3H3,(H,13,17) |
| InChIKey | RKRKKJFOGNGSDI-UHFFFAOYSA-N |
| SMILES | C(=O)(C(NC(OCC)=O)C)N1C(C(=O)OC)CCC1 |