| SpectraBase Compound ID | 9I4n9gh8FLS |
|---|---|
| InChI | InChI=1S/C25H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25(27)28-23-24-19-18-21-26-22-24/h18-19,21-22H,2-17,20,23H2,1H3 |
| InChIKey | SMYRFHRJQMYOTQ-UHFFFAOYSA-N |
| Mol Weight | 389.6 g/mol |
| Molecular Formula | C25H43NO2 |
| Exact Mass | 389.32938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IlNWnllZ2zr |
|---|---|
| Name | Picolinyl nonadecanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 389.329379627 u |
| Formula | C25H43NO2 |
| InChI | InChI=1S/C25H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25(27)28-23-24-19-18-21-26-22-24/h18-19,21-22H,2-17,20,23H2,1H3 |
| InChIKey | SMYRFHRJQMYOTQ-UHFFFAOYSA-N |
| Molecular Weight | 389.624 g/mol |
| SMILES | C1=CN=CC(=C1)COC(CCCCCCCCCCCCCCCCCC)=O |