| SpectraBase Compound ID | 9LlCRGObeZK |
|---|---|
| InChI | InChI=1S/C30H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-30(32)33-28-29-24-23-26-31-27-29/h7-8,15-16,19-20,23-24,26-27H,2-6,9-14,17-18,21-22,25,28H2,1H3/b8-7-,16-15-,20-19- |
| InChIKey | BDCOMKWYVAURDI-QIJQVJCYSA-N |
| Mol Weight | 453.7 g/mol |
| Molecular Formula | C30H47NO2 |
| Exact Mass | 453.36068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 45rMn27plva |
|---|---|
| Name | Picolinyl 5,9,17-tetracosatrienoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 453.360679755 u |
| Formula | C30H47NO2 |
| InChI | InChI=1S/C30H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-30(32)33-28-29-24-23-26-31-27-29/h7-8,15-16,19-20,23-24,26-27H,2-6,9-14,17-18,21-22,25,28H2,1H3/b8-7-,16-15-,20-19- |
| InChIKey | BDCOMKWYVAURDI-QIJQVJCYSA-N |
| Molecular Weight | 453.711 g/mol |
| SMILES | C1=CN=CC(=C1)COC(CCC\C=C/CC\C=C/CCCCCC\C=C/CCCCCC)=O |