| SpectraBase Compound ID | CLM21fkDUwY |
|---|---|
| InChI | InChI=1S/C14H22N2O5/c1-7-9-21-14(19)16(6)10(3)12(17)15(5)11(4)13(18)20-8-2/h1,10-11H,8-9H2,2-6H3 |
| InChIKey | ATKZBWFAWWKQGC-UHFFFAOYSA-N |
| Mol Weight | 298.34 g/mol |
| Molecular Formula | C14H22N2O5 |
| Exact Mass | 298.152872 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HKWP48kyqo5 |
|---|---|
| Name | Alanylalanine, N,N'-dimethyl-N'-propargyloxycarbonyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.152871811 u |
| Formula | C14H22N2O5 |
| InChI | InChI=1S/C14H22N2O5/c1-7-9-21-14(19)16(6)10(3)12(17)15(5)11(4)13(18)20-8-2/h1,10-11H,8-9H2,2-6H3 |
| InChIKey | ATKZBWFAWWKQGC-UHFFFAOYSA-N |
| Molecular Weight | 298.339 g/mol |
| SMILES | C#CCOC(N(C(C(N(C(C(OCC)=O)C)C)=O)C)C)=O |