| SpectraBase Compound ID | ATIfE6ooWHt |
|---|---|
| InChI | InChI=1S/C20H33NO2/c1-3-5-6-7-8-9-10-11-12-13-19(4-2)23-20(22)18-14-16-21-17-15-18/h14-17,19H,3-13H2,1-2H3 |
| InChIKey | GSUPFAAVLAQWJM-UHFFFAOYSA-N |
| Mol Weight | 319.5 g/mol |
| Molecular Formula | C20H33NO2 |
| Exact Mass | 319.251129 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6K1UMXmjhBA |
|---|---|
| Name | Isonicotinic acid, 3-tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.251129305 u |
| Formula | C20H33NO2 |
| InChI | InChI=1S/C20H33NO2/c1-3-5-6-7-8-9-10-11-12-13-19(4-2)23-20(22)18-14-16-21-17-15-18/h14-17,19H,3-13H2,1-2H3 |
| InChIKey | GSUPFAAVLAQWJM-UHFFFAOYSA-N |
| Molecular Weight | 319.489 g/mol |
| SMILES | CCCCCCCCCCCC(OC(C1=CC=NC=C1)=O)CC |