| SpectraBase Compound ID | Jx6mkadFRPY |
|---|---|
| InChI | InChI=1S/C13H22N2O5/c1-8(2)20-13(18)14-9(3)11(16)15-7-5-6-10(15)12(17)19-4/h8-10H,5-7H2,1-4H3,(H,14,18) |
| InChIKey | FOASPNYQLZTRJQ-UHFFFAOYSA-N |
| Mol Weight | 286.33 g/mol |
| Molecular Formula | C13H22N2O5 |
| Exact Mass | 286.152872 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EEQbDIFb8XY |
|---|---|
| Name | ala-pro, N-Isopropyloxycarbonyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.152871811 u |
| Formula | C13H22N2O5 |
| InChI | InChI=1S/C13H22N2O5/c1-8(2)20-13(18)14-9(3)11(16)15-7-5-6-10(15)12(17)19-4/h8-10H,5-7H2,1-4H3,(H,14,18) |
| InChIKey | FOASPNYQLZTRJQ-UHFFFAOYSA-N |
| Molecular Weight | 286.328 g/mol |
| SMILES | C(=O)(C(NC(OC(C)C)=O)C)N1C(C(=O)OC)CCC1 |