| SpectraBase Compound ID | JEqNDSyjdL9 |
|---|---|
| InChI | InChI=1S/C17H29NO4/c1-5-7-8-9-10-12-21-16(19)15(13-14(3)4)18-17(20)22-11-6-2/h2,14-15H,5,7-13H2,1,3-4H3,(H,18,20) |
| InChIKey | QIPNDGKSOHQUIC-UHFFFAOYSA-N |
| Mol Weight | 311.42 g/mol |
| Molecular Formula | C17H29NO4 |
| Exact Mass | 311.209658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1FhqLu2XIJO |
|---|---|
| Name | L-Leucine, N-propargyloxycarbonyl-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.209658414 u |
| Formula | C17H29NO4 |
| InChI | InChI=1S/C17H29NO4/c1-5-7-8-9-10-12-21-16(19)15(13-14(3)4)18-17(20)22-11-6-2/h2,14-15H,5,7-13H2,1,3-4H3,(H,18,20) |
| InChIKey | QIPNDGKSOHQUIC-UHFFFAOYSA-N |
| SMILES | C#CCOC(NC(C(OCCCCCCC)=O)CC(C)C)=O |