| SpectraBase Compound ID | CDxHXr5wGJ6 |
|---|---|
| InChI | InChI=1S/C13H25NO4/c1-6-8-9-18-12(15)11(10(3)4)14(5)13(16)17-7-2/h10-11H,6-9H2,1-5H3 |
| InChIKey | JVKPBCXUKKVLCG-UHFFFAOYSA-N |
| Mol Weight | 259.35 g/mol |
| Molecular Formula | C13H25NO4 |
| Exact Mass | 259.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6RdxmJDqRdT |
|---|---|
| Name | Valine, N-methyl-N-ethoxycarbonyl-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.178358285 u |
| Formula | C13H25NO4 |
| InChI | InChI=1S/C13H25NO4/c1-6-8-9-18-12(15)11(10(3)4)14(5)13(16)17-7-2/h10-11H,6-9H2,1-5H3 |
| InChIKey | JVKPBCXUKKVLCG-UHFFFAOYSA-N |
| Molecular Weight | 259.346 g/mol |
| SMILES | CCOC(N(C(C(OCCCC)=O)C(C)C)C)=O |