| SpectraBase Compound ID | AMg1DKZvRUr |
|---|---|
| InChI | InChI=1S/C16H31NO4/c1-5-8-9-10-11-12-21-15(18)14(13(4)6-2)17-16(19)20-7-3/h13-14H,5-12H2,1-4H3,(H,17,19) |
| InChIKey | PQQJVXGDLMNZRJ-UHFFFAOYSA-N |
| Mol Weight | 301.43 g/mol |
| Molecular Formula | C16H31NO4 |
| Exact Mass | 301.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BNRXE0UX5TS |
|---|---|
| Name | L-Isoleucine, N-ethoxycarbonyl-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.225308478 u |
| Formula | C16H31NO4 |
| InChI | InChI=1S/C16H31NO4/c1-5-8-9-10-11-12-21-15(18)14(13(4)6-2)17-16(19)20-7-3/h13-14H,5-12H2,1-4H3,(H,17,19) |
| InChIKey | PQQJVXGDLMNZRJ-UHFFFAOYSA-N |
| SMILES | CCOC(NC(C(CC)C)C(OCCCCCCC)=O)=O |