| SpectraBase Compound ID | 9SBeERf3wt7 |
|---|---|
| InChI | InChI=1S/C23H39NO2/c1-3-21(2)15-12-10-8-6-4-5-7-9-11-13-17-23(25)26-20-22-16-14-18-24-19-22/h14,16,18-19,21H,3-13,15,17,20H2,1-2H3 |
| InChIKey | DETPTYSSZNSZLH-UHFFFAOYSA-N |
| Mol Weight | 361.6 g/mol |
| Molecular Formula | C23H39NO2 |
| Exact Mass | 361.298079 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BQPqiXyIeyN |
|---|---|
| Name | 14-Methylhexadecanoic acid, picolinyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 361.298079498 u |
| Formula | C23H39NO2 |
| InChI | InChI=1S/C23H39NO2/c1-3-21(2)15-12-10-8-6-4-5-7-9-11-13-17-23(25)26-20-22-16-14-18-24-19-22/h14,16,18-19,21H,3-13,15,17,20H2,1-2H3 |
| InChIKey | DETPTYSSZNSZLH-UHFFFAOYSA-N |
| Molecular Weight | 361.570 g/mol |
| SMILES | C1=CN=CC(=C1)COC(=O)CCCCCCCCCCCCC(CC)C |