| SpectraBase Compound ID | 60m6NFWKr30 |
|---|---|
| InChI | InChI=1S/C24H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(26)27-22-23-18-17-20-25-21-23/h6-7,9-10,12-13,17-18,20-21H,2-5,8,11,14-16,19,22H2,1H3/b7-6-,10-9-,13-12- |
| InChIKey | GQFLNXHHBUQWAP-QNEBEIHSSA-N |
| Mol Weight | 369.5 g/mol |
| Molecular Formula | C24H35NO2 |
| Exact Mass | 369.266779 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F4d3hCJajaB |
|---|---|
| Name | .Gamma.-linolenic acid, picolinyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 369.266779369 u |
| Formula | C24H35NO2 |
| InChI | InChI=1S/C24H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(26)27-22-23-18-17-20-25-21-23/h6-7,9-10,12-13,17-18,20-21H,2-5,8,11,14-16,19,22H2,1H3/b7-6-,10-9-,13-12- |
| InChIKey | GQFLNXHHBUQWAP-QNEBEIHSSA-N |
| Molecular Weight | 369.549 g/mol |
| SMILES | C(\C=C/C\C=C/C\C=C/CCCCC)CCCC(=O)OCC1=CN=CC=C1 |