| SpectraBase Compound ID | 7F9lkGfRuvs |
|---|---|
| InChI | InChI=1S/C13H25NO4/c1-6-7-8-9-18-12(15)11(10(2)3)14(4)13(16)17-5/h10-11H,6-9H2,1-5H3 |
| InChIKey | YDWWQDUEONELJZ-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 | DA2iLmOUQaX |
|---|---|
| Name | Valine, N-methyl-N-methoxycarbonyl-, pentyl 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/c1-6-7-8-9-18-12(15)11(10(2)3)14(4)13(16)17-5/h10-11H,6-9H2,1-5H3 |
| InChIKey | YDWWQDUEONELJZ-UHFFFAOYSA-N |
| Molecular Weight | 259.346 g/mol |
| SMILES | COC(N(C(C(OCCCCC)=O)C(C)C)C)=O |