| SpectraBase Compound ID | KjTQpnlunlc |
|---|---|
| InChI | InChI=1S/C14H23NO4/c1-6-8-10-18-13(16)12(11(3)4)15(5)14(17)19-9-7-2/h2,11-12H,6,8-10H2,1,3-5H3 |
| InChIKey | MMDOIBHNHYYVJR-UHFFFAOYSA-N |
| Mol Weight | 269.34 g/mol |
| Molecular Formula | C14H23NO4 |
| Exact Mass | 269.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7OuRvGK8pxG |
|---|---|
| Name | Valine, N-methyl-N-propargyloxycarbonyl-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.162708221 u |
| Formula | C14H23NO4 |
| InChI | InChI=1S/C14H23NO4/c1-6-8-10-18-13(16)12(11(3)4)15(5)14(17)19-9-7-2/h2,11-12H,6,8-10H2,1,3-5H3 |
| InChIKey | MMDOIBHNHYYVJR-UHFFFAOYSA-N |
| Molecular Weight | 269.341 g/mol |
| SMILES | C#CCOC(N(C(C(OCCCC)=O)C(C)C)C)=O |