| SpectraBase Compound ID | GkfbM2TZhq6 |
|---|---|
| InChI | InChI=1S/C22H35NO3/c1-2-21(24)15-11-9-7-5-3-4-6-8-10-12-16-22(25)26-19-20-14-13-17-23-18-20/h13-14,17-18H,2-12,15-16,19H2,1H3 |
| InChIKey | VHTYQTBMJCOHIX-UHFFFAOYSA-N |
| Mol Weight | 361.5 g/mol |
| Molecular Formula | C22H35NO3 |
| Exact Mass | 361.261694 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HHBB70yTSq9 |
|---|---|
| Name | Picolinyl 14-oxo-hexadecanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 361.261693988 u |
| Formula | C22H35NO3 |
| InChI | InChI=1S/C22H35NO3/c1-2-21(24)15-11-9-7-5-3-4-6-8-10-12-16-22(25)26-19-20-14-13-17-23-18-20/h13-14,17-18H,2-12,15-16,19H2,1H3 |
| InChIKey | VHTYQTBMJCOHIX-UHFFFAOYSA-N |
| Molecular Weight | 361.526 g/mol |
| SMILES | C1=CN=CC(=C1)COC(CCCCCCCCCCCCC(CC)=O)=O |