| SpectraBase Compound ID | DnAmBPsIhY3 |
|---|---|
| InChI | InChI=1S/C22H41NO4/c1-3-5-7-9-11-15-19-27-22(25)23-17-13-12-16-20(23)21(24)26-18-14-10-8-6-4-2/h20H,3-19H2,1-2H3 |
| InChIKey | GADLLBHFIKEAOF-UHFFFAOYSA-N |
| Mol Weight | 383.6 g/mol |
| Molecular Formula | C22H41NO4 |
| Exact Mass | 383.303559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7W8dp2hZzvv |
|---|---|
| Name | Pipecolic acid, N-octyloxycarbonyl-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 383.303558800 u |
| Formula | C22H41NO4 |
| InChI | InChI=1S/C22H41NO4/c1-3-5-7-9-11-15-19-27-22(25)23-17-13-12-16-20(23)21(24)26-18-14-10-8-6-4-2/h20H,3-19H2,1-2H3 |
| InChIKey | GADLLBHFIKEAOF-UHFFFAOYSA-N |
| Molecular Weight | 383.573 g/mol |
| SMILES | C1CCN(C(C1)C(OCCCCCCC)=O)C(OCCCCCCCC)=O |