| SpectraBase Compound ID | IL9gWNj2AGl |
|---|---|
| InChI | InChI=1S/C25H33NO2/c27-25(28-22-24-18-14-20-26-21-24)19-13-8-6-4-2-1-3-5-7-10-15-23-16-11-9-12-17-23/h3,5,9,11-12,14,16-18,20-21H,1-2,4,6-8,10,13,15,19,22H2/b5-3- |
| InChIKey | OQYVPMCOWGZMMN-HYXAFXHYSA-N |
| Mol Weight | 379.5 g/mol |
| Molecular Formula | C25H33NO2 |
| Exact Mass | 379.251129 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IvqAqvfbt9o |
|---|---|
| Name | Picolinyl 13-phenyl-tridec-9-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 379.251129305 u |
| Formula | C25H33NO2 |
| InChI | InChI=1S/C25H33NO2/c27-25(28-22-24-18-14-20-26-21-24)19-13-8-6-4-2-1-3-5-7-10-15-23-16-11-9-12-17-23/h3,5,9,11-12,14,16-18,20-21H,1-2,4,6-8,10,13,15,19,22H2/b5-3- |
| InChIKey | OQYVPMCOWGZMMN-HYXAFXHYSA-N |
| Molecular Weight | 379.544 g/mol |
| SMILES | C(CC(=O)OCC1=CC=CN=C1)CCCCC\C=C/CCCC1=CC=CC=C1 |