| SpectraBase Compound ID | IeUVZdMeTRK |
|---|---|
| InChI | InChI=1S/C20H35NO4/c1-5-7-8-9-10-11-12-13-14-16-24-19(22)18(17(3)4)21-20(23)25-15-6-2/h2,17-18H,5,7-16H2,1,3-4H3,(H,21,23) |
| InChIKey | UWOSAYGNRNTMEB-UHFFFAOYSA-N |
| Mol Weight | 353.5 g/mol |
| Molecular Formula | C20H35NO4 |
| Exact Mass | 353.256609 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7TEgWsMHtBC |
|---|---|
| Name | L-Valine, N-propargyloxycarbonyl-, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.256608607 u |
| Formula | C20H35NO4 |
| InChI | InChI=1S/C20H35NO4/c1-5-7-8-9-10-11-12-13-14-16-24-19(22)18(17(3)4)21-20(23)25-15-6-2/h2,17-18H,5,7-16H2,1,3-4H3,(H,21,23) |
| InChIKey | UWOSAYGNRNTMEB-UHFFFAOYSA-N |
| Molecular Weight | 353.503 g/mol |
| SMILES | C(CCCCCCCOC(C(NC(OCC#C)=O)C(C)C)=O)CCC |