| SpectraBase Compound ID | HlkwScRTpkX |
|---|---|
| InChI | InChI=1S/C27H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-27(29)30-25-26-21-20-23-28-24-26/h20-21,23-24H,2-19,22,25H2,1H3 |
| InChIKey | PVQABUZLMRTELK-UHFFFAOYSA-N |
| Mol Weight | 417.7 g/mol |
| Molecular Formula | C27H47NO2 |
| Exact Mass | 417.36068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4XmVBIzAzz1 |
|---|---|
| Name | Picolinyl heneicosanoate |
| 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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-27(29)30-25-26-21-20-23-28-24-26/h20-21,23-24H,2-19,22,25H2,1H3 |
| InChIKey | PVQABUZLMRTELK-UHFFFAOYSA-N |
| Molecular Weight | 417.678 g/mol |
| SMILES | C1=CN=CC(=C1)COC(CCCCCCCCCCCCCCCCCCCC)=O |