| SpectraBase Compound ID | IZCuIf8PNbC |
|---|---|
| InChI | InChI=1S/C21H35NO4/c1-3-5-6-7-8-9-10-11-14-18-25-20(23)19-15-12-13-16-22(19)21(24)26-17-4-2/h2,19H,3,5-18H2,1H3 |
| InChIKey | PXVDDGPWIOURMC-UHFFFAOYSA-N |
| Mol Weight | 365.5 g/mol |
| Molecular Formula | C21H35NO4 |
| Exact Mass | 365.256609 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FXE9yvns45Y |
|---|---|
| Name | Pipecolic acid, N-propargyloxycarbonyl-, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 365.256608607 u |
| Formula | C21H35NO4 |
| InChI | InChI=1S/C21H35NO4/c1-3-5-6-7-8-9-10-11-14-18-25-20(23)19-15-12-13-16-22(19)21(24)26-17-4-2/h2,19H,3,5-18H2,1H3 |
| InChIKey | PXVDDGPWIOURMC-UHFFFAOYSA-N |
| Molecular Weight | 365.514 g/mol |
| SMILES | C1CCN(C(C1)C(OCCCCCCCCCCC)=O)C(OCC#C)=O |