| SpectraBase Compound ID | 3Jdwy9PKeZk |
|---|---|
| InChI | InChI=1S/C32H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-32(34)35-30-31-26-25-28-33-29-31/h9-10,17-18,21-22,25-26,28-29H,2-8,11-16,19-20,23-24,27,30H2,1H3/b10-9-,18-17-,22-21- |
| InChIKey | QKENRUHAHUEODQ-DSVTWUIQSA-N |
| Mol Weight | 481.8 g/mol |
| Molecular Formula | C32H51NO2 |
| Exact Mass | 481.39198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AEhPcj0Pedb |
|---|---|
| Name | Picolinyl 5,9,17-hexacosatrienoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 481.391979884 u |
| Formula | C32H51NO2 |
| InChI | InChI=1S/C32H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-32(34)35-30-31-26-25-28-33-29-31/h9-10,17-18,21-22,25-26,28-29H,2-8,11-16,19-20,23-24,27,30H2,1H3/b10-9-,18-17-,22-21- |
| InChIKey | QKENRUHAHUEODQ-DSVTWUIQSA-N |
| Molecular Weight | 481.765 g/mol |
| SMILES | C(CC(=O)OCC1=CC=CN=C1)C\C=C/CC\C=C/CCCCCC\C=C/CCCCCCCC |