| SpectraBase Compound ID | EojXT7mzKnh |
|---|---|
| InChI | InChI=1S/C32H51N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-24-27-32(33-28-30)31-25-22-29(2)23-26-31/h22-28H,3-21H2,1-2H3 |
| InChIKey | OKTIFXMIAOSJBY-UHFFFAOYSA-N |
| Mol Weight | 449.8 g/mol |
| Molecular Formula | C32H51N |
| Exact Mass | 449.402151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6JNIrXRlIta |
|---|---|
| Name | 5-Icosyl-2-p-tolylpyridine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 449.402150646 u |
| Formula | C32H51N |
| InChI | InChI=1S/C32H51N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-24-27-32(33-28-30)31-25-22-29(2)23-26-31/h22-28H,3-21H2,1-2H3 |
| InChIKey | OKTIFXMIAOSJBY-UHFFFAOYSA-N |
| Molecular Weight | 449.767 g/mol |
| SMILES | C=1(C=2N=CC(=CC2)CCCCCCCCCCCCCCCCCCCC)C=CC(C)=CC1 |