![2-[p-Fluorophenyl]-6-methylcinchoninic acid](/api/spectrum/90f1xQbtyFs/structure.png?h=300&w=458 "2-[p-Fluorophenyl]-6-methylcinchoninic acid")
| SpectraBase Compound ID | 8s7cjWRdwPT |
|---|---|
| InChI | InChI=1S/C17H12FNO2/c1-10-2-7-15-13(8-10)14(17(20)21)9-16(19-15)11-3-5-12(18)6-4-11/h2-9H,1H3,(H,20,21) |
| InChIKey | FEUOXPARVIPXKS-UHFFFAOYSA-N |
| Mol Weight | 281.29 g/mol |
| Molecular Formula | C17H12FNO2 |
| Exact Mass | 281.085207 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 90f1xQbtyFs |
|---|---|
| Name | 2-[p-Fluorophenyl]-6-methylcinchoninic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.085206791 u |
| Formula | C17H12FNO2 |
| InChI | InChI=1S/C17H12FNO2/c1-10-2-7-15-13(8-10)14(17(20)21)9-16(19-15)11-3-5-12(18)6-4-11/h2-9H,1H3,(H,20,21) |
| InChIKey | FEUOXPARVIPXKS-UHFFFAOYSA-N |
| Molecular Weight | 281.286 g/mol |
| SMILES | C1(=NC2=C(C(=C1)C(=O)O)C=C(C=C2)C)C1=CC=C(C=C1)F |