| SpectraBase Compound ID | 5JpP5m84jdb |
|---|---|
| InChI | InChI=1S/C22H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22(24)25-20-21-16-15-18-23-19-21/h9-10,15-16,18-19H,2-8,11-14,17,20H2,1H3/b10-9- |
| InChIKey | WDIIVQPKNQYEOE-KTKRTIGZSA-N |
| Mol Weight | 345.5 g/mol |
| Molecular Formula | C22H35NO2 |
| Exact Mass | 345.266779 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Q2GPcmdH1b |
|---|---|
| Name | Picolinyl 7-hexadecenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 345.266779369 u |
| Formula | C22H35NO2 |
| InChI | InChI=1S/C22H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22(24)25-20-21-16-15-18-23-19-21/h9-10,15-16,18-19H,2-8,11-14,17,20H2,1H3/b10-9- |
| InChIKey | WDIIVQPKNQYEOE-KTKRTIGZSA-N |
| Molecular Weight | 345.527 g/mol |
| SMILES | C1=CN=CC(=C1)COC(CCCCC\C=C/CCCCCCCC)=O |