| SpectraBase Compound ID | 5G5Z9pNa0ja |
|---|---|
| InChI | InChI=1S/C22H31NO2/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/h4-5,7-8,10-11,15-16,18-19H,2-3,6,9,12-14,17,20H2,1H3/b5-4-,8-7-,11-10- |
| InChIKey | YZIOZLPCNOPPBX-YSTUJMKBSA-N |
| Mol Weight | 341.5 g/mol |
| Molecular Formula | C22H31NO2 |
| Exact Mass | 341.235479 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 64wyoNdkEDn |
|---|---|
| Name | Picolinyl 6,9,12-hexadecatrienoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.235479240 u |
| Formula | C22H31NO2 |
| InChI | InChI=1S/C22H31NO2/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/h4-5,7-8,10-11,15-16,18-19H,2-3,6,9,12-14,17,20H2,1H3/b5-4-,8-7-,11-10- |
| InChIKey | YZIOZLPCNOPPBX-YSTUJMKBSA-N |
| Molecular Weight | 341.495 g/mol |
| SMILES | C(CC(=O)OCC1=CC=CN=C1)CC\C=C/C\C=C/C\C=C/CCC |