| SpectraBase Compound ID | FyNXhpvy2lb |
|---|---|
| InChI | InChI=1S/C18H29NO2/c1-2-3-4-5-6-7-8-9-10-11-16-21-18(20)17-12-14-19-15-13-17/h12-15H,2-11,16H2,1H3 |
| InChIKey | AHDVQERFCJZEAX-UHFFFAOYSA-N |
| Mol Weight | 291.44 g/mol |
| Molecular Formula | C18H29NO2 |
| Exact Mass | 291.219829 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DVmI1wfdbK7 |
|---|---|
| Name | Isonicotinic acid, dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.219829176 u |
| Formula | C18H29NO2 |
| InChI | InChI=1S/C18H29NO2/c1-2-3-4-5-6-7-8-9-10-11-16-21-18(20)17-12-14-19-15-13-17/h12-15H,2-11,16H2,1H3 |
| InChIKey | AHDVQERFCJZEAX-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCOC(C1=CC=NC=C1)=O |