| SpectraBase Compound ID | 8qYVrdq6wVj |
|---|---|
| InChI | InChI=1S/C23H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23(25)26-21-22-17-16-19-24-20-22/h5-6,8-9,11-12,16-17,19-20H,2-4,7,10,13-15,18,21H2,1H3/b6-5-,9-8-,12-11- |
| InChIKey | GFUQUTGZCORGBS-AGRJPVHOSA-N |
| Mol Weight | 355.5 g/mol |
| Molecular Formula | C23H33NO2 |
| Exact Mass | 355.251129 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9zhXw8AxMXu |
|---|---|
| Name | Picolinyl 6,9,12-heptadecatrienoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.251129305 u |
| Formula | C23H33NO2 |
| InChI | InChI=1S/C23H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23(25)26-21-22-17-16-19-24-20-22/h5-6,8-9,11-12,16-17,19-20H,2-4,7,10,13-15,18,21H2,1H3/b6-5-,9-8-,12-11- |
| InChIKey | GFUQUTGZCORGBS-AGRJPVHOSA-N |
| Molecular Weight | 355.522 g/mol |
| SMILES | C1=CN=CC(=C1)COC(CCCC\C=C/C\C=C/C\C=C/CCCC)=O |