| SpectraBase Compound ID | 2vEJeAEtts0 |
|---|---|
| InChI | InChI=1S/C13H21NO4/c1-5-8-18-13(16)14-11(4)12(15)17-9-6-7-10(2)3/h1,10-11H,6-9H2,2-4H3,(H,14,16) |
| InChIKey | AYVQOFBIFHCAHI-UHFFFAOYSA-N |
| Mol Weight | 255.31 g/mol |
| Molecular Formula | C13H21NO4 |
| Exact Mass | 255.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J06bQGXuPIh |
|---|---|
| Name | D-Alanine, N-propargyloxycarbonyl-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.147058156 u |
| Formula | C13H21NO4 |
| InChI | InChI=1S/C13H21NO4/c1-5-8-18-13(16)14-11(4)12(15)17-9-6-7-10(2)3/h1,10-11H,6-9H2,2-4H3,(H,14,16) |
| InChIKey | AYVQOFBIFHCAHI-UHFFFAOYSA-N |
| Molecular Weight | 255.314 g/mol |
| SMILES | C(C(NC(=O)OCC#C)C)(OCCCC(C)C)=O |