| SpectraBase Compound ID | 2xHShBDHFAM |
|---|---|
| InChI | InChI=1S/C26H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26(28)29-24-25-20-19-22-27-23-25/h6-7,9-10,15-16,19-20,22-23H,2-5,8,11-14,17-18,21,24H2,1H3/b7-6+,10-9+,16-15+ |
| InChIKey | YRQVXSAHFIWVNS-CDCWTTDFSA-N |
| Mol Weight | 397.6 g/mol |
| Molecular Formula | C26H39NO2 |
| Exact Mass | 397.298079 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6po9SL20uk1 |
|---|---|
| Name | Eicosa-5,11,14-trienoic acid, picolinyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 397.298079498 u |
| Formula | C26H39NO2 |
| InChI | InChI=1S/C26H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26(28)29-24-25-20-19-22-27-23-25/h6-7,9-10,15-16,19-20,22-23H,2-5,8,11-14,17-18,21,24H2,1H3/b7-6+,10-9+,16-15+ |
| InChIKey | YRQVXSAHFIWVNS-CDCWTTDFSA-N |
| Molecular Weight | 397.603 g/mol |
| SMILES | C1=CC(COC(CCC\C=C\CCCC\C=C\C\C=C\CCCCC)=O)=CN=C1 |