| SpectraBase Compound ID | LLDy4DjuZV1 |
|---|---|
| InChI | InChI=1S/C15H29NO4/c1-6-12(5)13(16-15(18)19-7-2)14(17)20-10-8-9-11(3)4/h11-13H,6-10H2,1-5H3,(H,16,18) |
| InChIKey | LZHBEBLLIXVYBW-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 | HffI6dwiLQn |
|---|---|
| Name | L-Isoleucine, N-ethoxycarbonyl-, isohexyl 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/c1-6-12(5)13(16-15(18)19-7-2)14(17)20-10-8-9-11(3)4/h11-13H,6-10H2,1-5H3,(H,16,18) |
| InChIKey | LZHBEBLLIXVYBW-UHFFFAOYSA-N |
| SMILES | CCOC(NC(C(CC)C)C(OCCCC(C)C)=O)=O |