| SpectraBase Compound ID | 1SftOU9qHr0 |
|---|---|
| InChI | InChI=1S/C29H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-29(31)32-27-28-23-22-25-30-26-28/h22-23,25-26H,2-21,24,27H2,1H3 |
| InChIKey | NPPLRMPDEVJJGV-UHFFFAOYSA-N |
| Mol Weight | 445.7 g/mol |
| Molecular Formula | C29H51NO2 |
| Exact Mass | 445.39198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BU6vKnLha5T |
|---|---|
| Name | Picolinyl tricosanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 445.391979884 u |
| Formula | C29H51NO2 |
| InChI | InChI=1S/C29H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-29(31)32-27-28-23-22-25-30-26-28/h22-23,25-26H,2-21,24,27H2,1H3 |
| InChIKey | NPPLRMPDEVJJGV-UHFFFAOYSA-N |
| Molecular Weight | 445.732 g/mol |
| SMILES | C1=CN=CC(=C1)COC(CCCCCCCCCCCCCCCCCCCCCC)=O |