| SpectraBase Compound ID | 7i2ss71yII3 |
|---|---|
| InChI | InChI=1S/C25H43NO2/c1-3-16-23(2)17-13-11-9-7-5-4-6-8-10-12-14-19-25(27)28-22-24-18-15-20-26-21-24/h15,18,20-21,23H,3-14,16-17,19,22H2,1-2H3 |
| InChIKey | IBNYKMSZSQGXDF-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 | 5VqeI0Av0bq |
|---|---|
| Name | Picolinyl 15-methyloctadecanoate |
| 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/c1-3-16-23(2)17-13-11-9-7-5-4-6-8-10-12-14-19-25(27)28-22-24-18-15-20-26-21-24/h15,18,20-21,23H,3-14,16-17,19,22H2,1-2H3 |
| InChIKey | IBNYKMSZSQGXDF-UHFFFAOYSA-N |
| Molecular Weight | 389.624 g/mol |
| SMILES | C1=CN=CC(=C1)COC(CCCCCCCCCCCCCC(CCC)C)=O |