| SpectraBase Compound ID | 5jOkgiaRrg5 |
|---|---|
| InChI | InChI=1S/C27H47NO2/c1-25(2)19-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-21-27(29)30-24-26-20-18-22-28-23-26/h18,20,22-23,25H,3-17,19,21,24H2,1-2H3 |
| InChIKey | CZSAKQMMQHVENR-UHFFFAOYSA-N |
| Mol Weight | 417.7 g/mol |
| Molecular Formula | C27H47NO2 |
| Exact Mass | 417.36068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A2cwWZplrnS |
|---|---|
| Name | Picolinyl 19-methyleicosanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 417.360679755 u |
| Formula | C27H47NO2 |
| InChI | InChI=1S/C27H47NO2/c1-25(2)19-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-21-27(29)30-24-26-20-18-22-28-23-26/h18,20,22-23,25H,3-17,19,21,24H2,1-2H3 |
| InChIKey | CZSAKQMMQHVENR-UHFFFAOYSA-N |
| Molecular Weight | 417.678 g/mol |
| SMILES | C1=CN=CC(=C1)COC(CCCCCCCCCCCCCCCCCC(C)C)=O |