| SpectraBase Compound ID | 1uaB5eAI3UJ |
|---|---|
| InChI | InChI=1S/C17H33NO4/c1-5-8-9-10-11-12-13-22-16(19)15(14(4)6-2)18-17(20)21-7-3/h14-15H,5-13H2,1-4H3,(H,18,20) |
| InChIKey | NKXRCPMKLQQFHV-UHFFFAOYSA-N |
| Mol Weight | 315.5 g/mol |
| Molecular Formula | C17H33NO4 |
| Exact Mass | 315.240959 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9hSBmVgCHqN |
|---|---|
| Name | L-Isoleucine, N-ethoxycarbonyl-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.240958543 u |
| Formula | C17H33NO4 |
| InChI | InChI=1S/C17H33NO4/c1-5-8-9-10-11-12-13-22-16(19)15(14(4)6-2)18-17(20)21-7-3/h14-15H,5-13H2,1-4H3,(H,18,20) |
| InChIKey | NKXRCPMKLQQFHV-UHFFFAOYSA-N |
| Molecular Weight | 315.454 g/mol |
| SMILES | CCOC(NC(C(CC)C)C(OCCCCCCCC)=O)=O |