| SpectraBase Compound ID | Ix6pZG7JhML |
|---|---|
| InChI | InChI=1S/C31H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-31(33)34-29-30-26-24-25-28-32-30/h8-9,16-17,20-21,24-26,28H,2-7,10-15,18-19,22-23,27,29H2,1H3/b9-8+,17-16+,21-20+ |
| InChIKey | NOWQKGVLKNXONA-NZOMZPKXSA-N |
| Mol Weight | 467.7 g/mol |
| Molecular Formula | C31H49NO2 |
| Exact Mass | 467.37633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B5sBanM2AOH |
|---|---|
| Name | Picolinyl 5,9,17-pentacosatrienoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 467.376329820 u |
| Formula | C31H49NO2 |
| InChI | InChI=1S/C31H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-31(33)34-29-30-26-24-25-28-32-30/h8-9,16-17,20-21,24-26,28H,2-7,10-15,18-19,22-23,27,29H2,1H3/b9-8+,17-16+,21-20+ |
| InChIKey | NOWQKGVLKNXONA-NZOMZPKXSA-N |
| Molecular Weight | 467.738 g/mol |
| SMILES | C(CCC\C=C\CC\C=C\CCCCCC\C=C\CCCCCCC)(OCC=1N=CC=CC1)=O |