| SpectraBase Compound ID | A5ojJqlBq0r |
|---|---|
| InChI | InChI=1S/C22H37NO2/c1-3-5-6-7-8-9-10-11-12-13-15-21(14-4-2)25-22(24)20-16-18-23-19-17-20/h16-19,21H,3-15H2,1-2H3 |
| InChIKey | COYGRGBQNIAHMN-UHFFFAOYSA-N |
| Mol Weight | 347.5 g/mol |
| Molecular Formula | C22H37NO2 |
| Exact Mass | 347.282429 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 531M2icF6U3 |
|---|---|
| Name | Isonicotinic acid, 4-hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.282429433 u |
| Formula | C22H37NO2 |
| InChI | InChI=1S/C22H37NO2/c1-3-5-6-7-8-9-10-11-12-13-15-21(14-4-2)25-22(24)20-16-18-23-19-17-20/h16-19,21H,3-15H2,1-2H3 |
| InChIKey | COYGRGBQNIAHMN-UHFFFAOYSA-N |
| Molecular Weight | 347.543 g/mol |
| SMILES | CCCCCCCCCCCCC(OC(C1=CC=NC=C1)=O)CCC |