| SpectraBase Compound ID | 2dHOG6Zy4Ue |
|---|---|
| InChI | InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22(24)25-20-21-16-15-18-23-19-21/h15-16,18-19H,2-14,17,20H2,1H3 |
| InChIKey | BCEVKZRDQYYDNQ-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 | Gie6QgkQxGV |
|---|---|
| Name | 3-Pyridylmethyl hexadecanoate |
| 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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22(24)25-20-21-16-15-18-23-19-21/h15-16,18-19H,2-14,17,20H2,1H3 |
| InChIKey | BCEVKZRDQYYDNQ-UHFFFAOYSA-N |
| Molecular Weight | 347.543 g/mol |
| SMILES | C(CCCCCCCCCCCCCCC)(=O)OCC1=CN=CC=C1 |