| SpectraBase Compound ID | 7jRPUeSTuyP |
|---|---|
| InChI | InChI=1S/C17H33NO4/c1-7-14(6)15(18-17(20)22-11-13(4)5)16(19)21-10-8-9-12(2)3/h12-15H,7-11H2,1-6H3,(H,18,20) |
| InChIKey | AJPIYIAGUFTNFJ-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 | LkHYB0tUYga |
|---|---|
| Name | L-Isoleucine, N-isobutoxycarbonyl-, isohexyl 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/c1-7-14(6)15(18-17(20)22-11-13(4)5)16(19)21-10-8-9-12(2)3/h12-15H,7-11H2,1-6H3,(H,18,20) |
| InChIKey | AJPIYIAGUFTNFJ-UHFFFAOYSA-N |
| Molecular Weight | 315.454 g/mol |
| SMILES | CC(C)COC(NC(C(CC)C)C(OCCCC(C)C)=O)=O |