| SpectraBase Compound ID | D9JLkXOvrOl |
|---|---|
| InChI | InChI=1S/C34H55NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-34(36)37-32-33-28-27-30-35-31-33/h9-10,19-20,23-24,27-28,30-31H,2-8,11-18,21-22,25-26,29,32H2,1H3/b10-9+,20-19+,24-23+ |
| InChIKey | BJQRWHHECGPKCB-YUZVVKLMSA-N |
| Mol Weight | 509.8 g/mol |
| Molecular Formula | C34H55NO2 |
| Exact Mass | 509.42328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A1heErFQ3up |
|---|---|
| Name | Picolinyl 5,9,19-octacosatrienoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 509.423280013 u |
| Formula | C34H55NO2 |
| InChI | InChI=1S/C34H55NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-34(36)37-32-33-28-27-30-35-31-33/h9-10,19-20,23-24,27-28,30-31H,2-8,11-18,21-22,25-26,29,32H2,1H3/b10-9+,20-19+,24-23+ |
| InChIKey | BJQRWHHECGPKCB-YUZVVKLMSA-N |
| Molecular Weight | 509.819 g/mol |
| SMILES | CCCCCCCC\C=C\CCCCCCCC\C=C\CC\C=C\CCCC(OCC1=CC=CN=C1)=O |