| SpectraBase Compound ID | K0rouOOOtJU |
|---|---|
| InChI | InChI=1S/C20H37NO4/c1-5-8-9-10-11-12-13-14-15-16-25-19(22)18(17(4)6-2)21-20(23)24-7-3/h5,17-18H,1,6-16H2,2-4H3,(H,21,23) |
| InChIKey | MTVPMWJWAHFNIL-UHFFFAOYSA-N |
| Mol Weight | 355.5 g/mol |
| Molecular Formula | C20H37NO4 |
| Exact Mass | 355.272259 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4vFgWAe7twk |
|---|---|
| Name | L-Isoleucine, N-ethoxycarbonyl-, undec-10-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.272258671 u |
| Formula | C20H37NO4 |
| InChI | InChI=1S/C20H37NO4/c1-5-8-9-10-11-12-13-14-15-16-25-19(22)18(17(4)6-2)21-20(23)24-7-3/h5,17-18H,1,6-16H2,2-4H3,(H,21,23) |
| InChIKey | MTVPMWJWAHFNIL-UHFFFAOYSA-N |
| Molecular Weight | 355.519 g/mol |
| SMILES | CCOC(NC(C(CC)C)C(OCCCCCCCCCC=C)=O)=O |