| SpectraBase Compound ID | 7dlxWQvwAMI |
|---|---|
| InChI | InChI=1S/C20H39NO4/c1-5-8-9-10-11-12-13-14-16-24-19(22)18(17(4)7-3)21-20(23)25-15-6-2/h17-18H,5-16H2,1-4H3,(H,21,23) |
| InChIKey | KJMLFWNJOZIZQI-UHFFFAOYSA-N |
| Mol Weight | 357.5 g/mol |
| Molecular Formula | C20H39NO4 |
| Exact Mass | 357.287909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5hOuUa9pSF6 |
|---|---|
| Name | L-Isoleucine, N-propoxycarbonyl-, decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 357.287908736 u |
| Formula | C20H39NO4 |
| InChI | InChI=1S/C20H39NO4/c1-5-8-9-10-11-12-13-14-16-24-19(22)18(17(4)7-3)21-20(23)25-15-6-2/h17-18H,5-16H2,1-4H3,(H,21,23) |
| InChIKey | KJMLFWNJOZIZQI-UHFFFAOYSA-N |
| Molecular Weight | 357.535 g/mol |
| SMILES | CCCOC(NC(C(CC)C)C(OCCCCCCCCCC)=O)=O |