| SpectraBase Compound ID | 286huiNWuS2 |
|---|---|
| InChI | InChI=1S/C22H43NO4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-27-21(24)20(19(3)6-2)23-22(25)26-4/h19-20H,5-18H2,1-4H3,(H,23,25) |
| InChIKey | XOYTVEHNTAHCDT-UHFFFAOYSA-N |
| Mol Weight | 385.6 g/mol |
| Molecular Formula | C22H43NO4 |
| Exact Mass | 385.319209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HuIN8a9STmv |
|---|---|
| Name | L-Isoleucine, N-methoxycarbonyl-, tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 385.319208865 u |
| Formula | C22H43NO4 |
| InChI | InChI=1S/C22H43NO4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-27-21(24)20(19(3)6-2)23-22(25)26-4/h19-20H,5-18H2,1-4H3,(H,23,25) |
| InChIKey | XOYTVEHNTAHCDT-UHFFFAOYSA-N |
| Molecular Weight | 385.589 g/mol |
| SMILES | COC(NC(C(CC)C)C(OCCCCCCCCCCCCCC)=O)=O |