| SpectraBase Compound ID | DNsF15N8NUQ |
|---|---|
| InChI | InChI=1S/C12H19NO4/c1-6-8-17-12(15)13(5)10(9(3)4)11(14)16-7-2/h1,9-10H,7-8H2,2-5H3 |
| InChIKey | OQWJCPIUSWPYDC-UHFFFAOYSA-N |
| Mol Weight | 241.29 g/mol |
| Molecular Formula | C12H19NO4 |
| Exact Mass | 241.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7azVjRbTxSq |
|---|---|
| Name | Valine, N-methyl-N-propargyloxycarbonyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.131408092 u |
| Formula | C12H19NO4 |
| InChI | InChI=1S/C12H19NO4/c1-6-8-17-12(15)13(5)10(9(3)4)11(14)16-7-2/h1,9-10H,7-8H2,2-5H3 |
| InChIKey | OQWJCPIUSWPYDC-UHFFFAOYSA-N |
| Molecular Weight | 241.287 g/mol |
| SMILES | C#CCOC(N(C(C(C)C)C(OCC)=O)C)=O |