| SpectraBase Compound ID | 2H2hN4XOA5W |
|---|---|
| InChI | InChI=1S/C20H39NO4/c1-7-9-10-11-12-13-14-24-18(22)17(16(3)8-2)21-19(23)25-15-20(4,5)6/h16-17H,7-15H2,1-6H3,(H,21,23) |
| InChIKey | ZYLSGTKAWLLAER-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 | 9lX1UkQN1ia |
|---|---|
| Name | L-Isoleucine, N-neopentyloxycarbonyl-, octyl 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/c1-7-9-10-11-12-13-14-24-18(22)17(16(3)8-2)21-19(23)25-15-20(4,5)6/h16-17H,7-15H2,1-6H3,(H,21,23) |
| InChIKey | ZYLSGTKAWLLAER-UHFFFAOYSA-N |
| Molecular Weight | 357.535 g/mol |
| SMILES | CCCCCCCCOC(C(NC(OCC(C)(C)C)=O)C(C)CC)=O |