| SpectraBase Compound ID | 4LFn5sB04FW |
|---|---|
| InChI | InChI=1S/C12H8FNO2/c13-10-1-3-11(4-2-10)16-12(15)9-5-7-14-8-6-9/h1-8H |
| InChIKey | DYUURDOKCGRXKH-UHFFFAOYSA-N |
| Mol Weight | 217.2 g/mol |
| Molecular Formula | C12H8FNO2 |
| Exact Mass | 217.053907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FPJE1gTws0U |
|---|---|
| Name | (4-Fluorophenyl) pyridine-4-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.053906663 u |
| Formula | C12H8FNO2 |
| InChI | InChI=1S/C12H8FNO2/c13-10-1-3-11(4-2-10)16-12(15)9-5-7-14-8-6-9/h1-8H |
| InChIKey | DYUURDOKCGRXKH-UHFFFAOYSA-N |
| Molecular Weight | 217.199 g/mol |
| SMILES | C(OC1=CC=C(C=C1)F)(=O)C1=CC=NC=C1 |