| SpectraBase Compound ID | FjgFyyYYOrg |
|---|---|
| InChI | InChI=1S/C12H17NO2/c1-2-3-4-5-10-15-12(14)11-6-8-13-9-7-11/h6-9H,2-5,10H2,1H3 |
| InChIKey | MKYNICZKXITARB-UHFFFAOYSA-N |
| Mol Weight | 207.27 g/mol |
| Molecular Formula | C12H17NO2 |
| Exact Mass | 207.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FHOT83761Ac |
|---|---|
| Name | Isonicotinic acid, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.125928789 u |
| Formula | C12H17NO2 |
| InChI | InChI=1S/C12H17NO2/c1-2-3-4-5-10-15-12(14)11-6-8-13-9-7-11/h6-9H,2-5,10H2,1H3 |
| InChIKey | MKYNICZKXITARB-UHFFFAOYSA-N |
| Molecular Weight | 207.273 g/mol |
| SMILES | C1=NC=CC(=C1)C(OCCCCCC)=O |