| SpectraBase Compound ID | GA8wflQDAZt |
|---|---|
| InChI | InChI=1S/C20H39NO4/c1-6-8-9-10-11-12-13-14-24-19(22)18(17(5)7-2)21-20(23)25-15-16(3)4/h16-18H,6-15H2,1-5H3,(H,21,23) |
| InChIKey | ZEYHIVNWGVBALU-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 | ADW2v0I9RDE |
|---|---|
| Name | L-Isoleucine, N-isobutoxycarbonyl-, nonyl 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/c1-6-8-9-10-11-12-13-14-24-19(22)18(17(5)7-2)21-20(23)25-15-16(3)4/h16-18H,6-15H2,1-5H3,(H,21,23) |
| InChIKey | ZEYHIVNWGVBALU-UHFFFAOYSA-N |
| Molecular Weight | 357.535 g/mol |
| SMILES | CC(C)COC(NC(C(CC)C)C(OCCCCCCCCC)=O)=O |