| SpectraBase Compound ID | kBOSWaUkzq |
|---|---|
| InChI | InChI=1S/C24H39NO3/c1-2-3-11-16-23(26)17-12-9-7-5-4-6-8-10-13-18-24(27)28-21-22-15-14-19-25-20-22/h14-15,19-20H,2-13,16-18,21H2,1H3 |
| InChIKey | RDRQGPFZWSGNPG-UHFFFAOYSA-N |
| Mol Weight | 389.6 g/mol |
| Molecular Formula | C24H39NO3 |
| Exact Mass | 389.292994 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6QioEXp8egQ |
|---|---|
| Name | Picolinyl 13-oxo-octadecanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 389.292994117 u |
| Formula | C24H39NO3 |
| InChI | InChI=1S/C24H39NO3/c1-2-3-11-16-23(26)17-12-9-7-5-4-6-8-10-13-18-24(27)28-21-22-15-14-19-25-20-22/h14-15,19-20H,2-13,16-18,21H2,1H3 |
| InChIKey | RDRQGPFZWSGNPG-UHFFFAOYSA-N |
| Molecular Weight | 389.580 g/mol |
| SMILES | C(CC(=O)OCC1=CC=CN=C1)CCCCCCCCCC(CCCCC)=O |