| SpectraBase Compound ID | Bqvi4dFltZW |
|---|---|
| InChI | InChI=1S/C25H47NO4/c1-3-5-7-9-11-12-14-17-21-29-24(27)23-19-15-16-20-26(23)25(28)30-22-18-13-10-8-6-4-2/h23H,3-22H2,1-2H3 |
| InChIKey | HFPPEUYHMHDCGG-UHFFFAOYSA-N |
| Mol Weight | 425.7 g/mol |
| Molecular Formula | C25H47NO4 |
| Exact Mass | 425.350509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3MmdtNyj2w8 |
|---|---|
| Name | Pipecolic acid, N-octyloxycarbonyl-, decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 425.350508993 u |
| Formula | C25H47NO4 |
| InChI | InChI=1S/C25H47NO4/c1-3-5-7-9-11-12-14-17-21-29-24(27)23-19-15-16-20-26(23)25(28)30-22-18-13-10-8-6-4-2/h23H,3-22H2,1-2H3 |
| InChIKey | HFPPEUYHMHDCGG-UHFFFAOYSA-N |
| Molecular Weight | 425.654 g/mol |
| SMILES | C1CCN(C(C1)C(OCCCCCCCCCC)=O)C(OCCCCCCCC)=O |