| SpectraBase Compound ID | 7BF122G3Iba |
|---|---|
| InChI | InChI=1S/C13H25NO4/c1-6-8-17-12(15)11(10(3)4)14(5)13(16)18-9-7-2/h10-11H,6-9H2,1-5H3 |
| InChIKey | HRFSALUZAUNSSI-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 | ISBDVhF5a4g |
|---|---|
| Name | Valine, N-methyl-N-propoxycarbonyl-, propyl 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/c1-6-8-17-12(15)11(10(3)4)14(5)13(16)18-9-7-2/h10-11H,6-9H2,1-5H3 |
| InChIKey | HRFSALUZAUNSSI-UHFFFAOYSA-N |
| Molecular Weight | 259.346 g/mol |
| SMILES | CCCOC(N(C(C(C)C)C(OCCC)=O)C)=O |