| SpectraBase Compound ID | JHG7AKfEjiD |
|---|---|
| InChI | InChI=1S/C15H29NO4/c1-5-8-9-11-19-14(17)13(12(4)7-3)16-15(18)20-10-6-2/h12-13H,5-11H2,1-4H3,(H,16,18) |
| InChIKey | DTDQGPQAFZTMTK-UHFFFAOYSA-N |
| Mol Weight | 287.4 g/mol |
| Molecular Formula | C15H29NO4 |
| Exact Mass | 287.209658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FZKuu96L3RL |
|---|---|
| Name | L-Isoleucine, N-propoxycarbonyl-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.209658414 u |
| Formula | C15H29NO4 |
| InChI | InChI=1S/C15H29NO4/c1-5-8-9-11-19-14(17)13(12(4)7-3)16-15(18)20-10-6-2/h12-13H,5-11H2,1-4H3,(H,16,18) |
| InChIKey | DTDQGPQAFZTMTK-UHFFFAOYSA-N |
| SMILES | CCCOC(NC(C(CC)C)C(OCCCCC)=O)=O |