| SpectraBase Compound ID | FGokNK1SDpN |
|---|---|
| InChI | InChI=1S/C9H11NO2/c1-2-7-12-9(11)8-3-5-10-6-4-8/h3-6H,2,7H2,1H3 |
| InChIKey | TZAAGDYITBGHOB-UHFFFAOYSA-N |
| Mol Weight | 165.19 g/mol |
| Molecular Formula | C9H11NO2 |
| Exact Mass | 165.078979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G4veIrZdRiX |
|---|---|
| Name | Isonicotinic acid, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 165.078978596 u |
| Formula | C9H11NO2 |
| InChI | InChI=1S/C9H11NO2/c1-2-7-12-9(11)8-3-5-10-6-4-8/h3-6H,2,7H2,1H3 |
| InChIKey | TZAAGDYITBGHOB-UHFFFAOYSA-N |
| Molecular Weight | 165.192 g/mol |
| SMILES | C1=NC=CC(=C1)C(OCCC)=O |