| SpectraBase Compound ID | 95LckjgAzTY |
|---|---|
| InChI | InChI=1S/C16H29NO4/c1-5-7-8-9-10-12-20-15(18)14(13(3)4)17-16(19)21-11-6-2/h6,13-14H,2,5,7-12H2,1,3-4H3,(H,17,19) |
| InChIKey | NFTHZFCWJPDTIG-UHFFFAOYSA-N |
| Mol Weight | 299.41 g/mol |
| Molecular Formula | C16H29NO4 |
| Exact Mass | 299.209658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JU17mQY37Qt |
|---|---|
| Name | L-Valine, N-allyloxycarbonyl-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.209658414 u |
| Formula | C16H29NO4 |
| InChI | InChI=1S/C16H29NO4/c1-5-7-8-9-10-12-20-15(18)14(13(3)4)17-16(19)21-11-6-2/h6,13-14H,2,5,7-12H2,1,3-4H3,(H,17,19) |
| InChIKey | NFTHZFCWJPDTIG-UHFFFAOYSA-N |
| SMILES | CCCCCCCOC(C(NC(OCC=C)=O)C(C)C)=O |