![2-[p-Fluorophenyl]-8-methylcinchoninic acid](/api/spectrum/KhdwcrPuGCf/structure.png?h=300&w=458 "2-[p-Fluorophenyl]-8-methylcinchoninic acid")
| SpectraBase Compound ID | E1P7CSJpTKg |
|---|---|
| InChI | InChI=1S/C17H12FNO2/c1-10-3-2-4-13-14(17(20)21)9-15(19-16(10)13)11-5-7-12(18)8-6-11/h2-9H,1H3,(H,20,21) |
| InChIKey | BUHYMWMBQXWJDQ-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 | KhdwcrPuGCf |
|---|---|
| Name | 2-[p-Fluorophenyl]-8-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/c1-10-3-2-4-13-14(17(20)21)9-15(19-16(10)13)11-5-7-12(18)8-6-11/h2-9H,1H3,(H,20,21) |
| InChIKey | BUHYMWMBQXWJDQ-UHFFFAOYSA-N |
| Molecular Weight | 281.286 g/mol |
| SMILES | C1=CC(=C2C(=C1)C(=CC(=N2)C1=CC=C(C=C1)F)C(=O)O)C |