| SpectraBase Compound ID | LX2AlFMkVNx |
|---|---|
| InChI | InChI=1S/C24H45NO4/c1-3-5-7-9-10-11-12-13-17-20-28-23(26)22-18-14-15-19-25(22)24(27)29-21-16-8-6-4-2/h22H,3-21H2,1-2H3 |
| InChIKey | WUAVDIQJFHKSJI-UHFFFAOYSA-N |
| Mol Weight | 411.6 g/mol |
| Molecular Formula | C24H45NO4 |
| Exact Mass | 411.334859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HYAjyHED5P |
|---|---|
| Name | Pipecolic acid, N-hexyloxycarbonyl-, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 411.334858929 u |
| Formula | C24H45NO4 |
| InChI | InChI=1S/C24H45NO4/c1-3-5-7-9-10-11-12-13-17-20-28-23(26)22-18-14-15-19-25(22)24(27)29-21-16-8-6-4-2/h22H,3-21H2,1-2H3 |
| InChIKey | WUAVDIQJFHKSJI-UHFFFAOYSA-N |
| Molecular Weight | 411.627 g/mol |
| SMILES | C1CCN(C(C1)C(OCCCCCCCCCCC)=O)C(OCCCCCC)=O |