| SpectraBase Compound ID | EqN6MEoN9TF |
|---|---|
| InChI | InChI=1S/C22H29NO2/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/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20H2,1H3/b4-3-,7-6-,10-9-,13-12- |
| InChIKey | HXBRGLJVVZFOBQ-LTKCOYKYSA-N |
| Mol Weight | 339.48 g/mol |
| Molecular Formula | C22H29NO2 |
| Exact Mass | 339.219829 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Deu4fDa3dvm |
|---|---|
| Name | Picolinyl 4,7,10,13-hexadecatetraenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.219829176 u |
| Formula | C22H29NO2 |
| InChI | InChI=1S/C22H29NO2/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/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20H2,1H3/b4-3-,7-6-,10-9-,13-12- |
| InChIKey | HXBRGLJVVZFOBQ-LTKCOYKYSA-N |
| Molecular Weight | 339.479 g/mol |
| SMILES | C1=CN=CC(=C1)COC(CC\C=C/C\C=C/C\C=C/C\C=C/CC)=O |