| SpectraBase Compound ID | CxGkCm1d6wX |
|---|---|
| InChI | InChI=1S/C23H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-23(25)22-17-19-24-20-18-22/h17-20H,2-16,21H2,1H3 |
| InChIKey | DYZRJAACWZICSM-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 | 1ngssttbsKp |
|---|---|
| Name | Isonicotinic acid, heptadecyl 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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-23(25)22-17-19-24-20-18-22/h17-20H,2-16,21H2,1H3 |
| InChIKey | DYZRJAACWZICSM-UHFFFAOYSA-N |
| Molecular Weight | 361.570 g/mol |
| SMILES | CCCCCCCCCCCCCCCCCOC(C1=CC=NC=C1)=O |