| SpectraBase Compound ID | GOfC7FoOIv7 |
|---|---|
| InChI | InChI=1S/C19H37NO4/c1-5-8-10-11-12-13-15-23-18(21)17(16(4)7-3)20-19(22)24-14-9-6-2/h16-17H,5-15H2,1-4H3,(H,20,22) |
| InChIKey | GQNLNOFFSIVEQA-UHFFFAOYSA-N |
| Mol Weight | 343.5 g/mol |
| Molecular Formula | C19H37NO4 |
| Exact Mass | 343.272259 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dxf077lndcV |
|---|---|
| Name | L-Isoleucine, N-butoxycarbonyl-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 343.272258671 u |
| Formula | C19H37NO4 |
| InChI | InChI=1S/C19H37NO4/c1-5-8-10-11-12-13-15-23-18(21)17(16(4)7-3)20-19(22)24-14-9-6-2/h16-17H,5-15H2,1-4H3,(H,20,22) |
| InChIKey | GQNLNOFFSIVEQA-UHFFFAOYSA-N |
| Molecular Weight | 343.508 g/mol |
| SMILES | CCCCOC(NC(C(CC)C)C(OCCCCCCCC)=O)=O |