| SpectraBase Compound ID | CaH1BL9gARA |
|---|---|
| InChI | InChI=1S/C25H43NO2/c1-23(2)17-14-12-10-8-6-4-3-5-7-9-11-13-15-19-25(27)28-22-24-18-16-20-26-21-24/h16,18,20-21,23H,3-15,17,19,22H2,1-2H3 |
| InChIKey | CQLKWUTUOOPYMQ-UHFFFAOYSA-N |
| Mol Weight | 389.6 g/mol |
| Molecular Formula | C25H43NO2 |
| Exact Mass | 389.32938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1whvKMXXvhu |
|---|---|
| Name | Picolinyl 17-methyl-octadecanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 389.329379627 u |
| Formula | C25H43NO2 |
| InChI | InChI=1S/C25H43NO2/c1-23(2)17-14-12-10-8-6-4-3-5-7-9-11-13-15-19-25(27)28-22-24-18-16-20-26-21-24/h16,18,20-21,23H,3-15,17,19,22H2,1-2H3 |
| InChIKey | CQLKWUTUOOPYMQ-UHFFFAOYSA-N |
| Molecular Weight | 389.624 g/mol |
| SMILES | C1=CN=CC(=C1)COC(CCCCCCCCCCCCCCCC(C)C)=O |