| SpectraBase Compound ID | Im4b5fOPMdN |
|---|---|
| InChI | InChI=1S/C22H33NO3/c1-2-3-4-5-6-9-14-21(24)15-10-7-8-11-16-22(25)26-19-20-13-12-17-23-18-20/h4-5,12-13,17-18H,2-3,6-11,14-16,19H2,1H3/b5-4- |
| InChIKey | DIPSAFDFMILPCV-PLNGDYQASA-N |
| Mol Weight | 359.5 g/mol |
| Molecular Formula | C22H33NO3 |
| Exact Mass | 359.246044 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 458c6nqlrfK |
|---|---|
| Name | Picolinyl 8-oxo-hexadec-12-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 359.246043924 u |
| Formula | C22H33NO3 |
| InChI | InChI=1S/C22H33NO3/c1-2-3-4-5-6-9-14-21(24)15-10-7-8-11-16-22(25)26-19-20-13-12-17-23-18-20/h4-5,12-13,17-18H,2-3,6-11,14-16,19H2,1H3/b5-4- |
| InChIKey | DIPSAFDFMILPCV-PLNGDYQASA-N |
| Molecular Weight | 359.510 g/mol |
| SMILES | C(CC(=O)OCC1=CC=CN=C1)CCCCC(CCC\C=C/CCC)=O |