| SpectraBase Compound ID | 5BYrU9PVU2g |
|---|---|
| InChI | InChI=1S/C16H31NO4/c1-5-7-8-9-11-20-15(18)14(12-13(3)4)17-16(19)21-10-6-2/h13-14H,5-12H2,1-4H3,(H,17,19) |
| InChIKey | OMSRQXDWVGKTRX-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 | 1tBeMpXZNVo |
|---|---|
| Name | L-Leucine, N-propoxycarbonyl-, hexyl 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/c1-5-7-8-9-11-20-15(18)14(12-13(3)4)17-16(19)21-10-6-2/h13-14H,5-12H2,1-4H3,(H,17,19) |
| InChIKey | OMSRQXDWVGKTRX-UHFFFAOYSA-N |
| SMILES | CCCOC(NC(CC(C)C)C(OCCCCCC)=O)=O |