![6,8-Dimethyl-2-[p-fluorophenyl]cinchoninic acid](/api/spectrum/JIKrKcOhUJs/structure.png?h=300&w=458 "6,8-Dimethyl-2-[p-fluorophenyl]cinchoninic acid")
| SpectraBase Compound ID | 9tAMXrXNHKf |
|---|---|
| InChI | InChI=1S/C18H14FNO2/c1-10-7-11(2)17-14(8-10)15(18(21)22)9-16(20-17)12-3-5-13(19)6-4-12/h3-9H,1-2H3,(H,21,22) |
| InChIKey | RFGXIZMWHQHBNA-UHFFFAOYSA-N |
| Mol Weight | 295.31 g/mol |
| Molecular Formula | C18H14FNO2 |
| Exact Mass | 295.100857 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JIKrKcOhUJs |
|---|---|
| Name | 6,8-Dimethyl-2-[p-fluorophenyl]cinchoninic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.100856856 u |
| Formula | C18H14FNO2 |
| InChI | InChI=1S/C18H14FNO2/c1-10-7-11(2)17-14(8-10)15(18(21)22)9-16(20-17)12-3-5-13(19)6-4-12/h3-9H,1-2H3,(H,21,22) |
| InChIKey | RFGXIZMWHQHBNA-UHFFFAOYSA-N |
| Molecular Weight | 295.313 g/mol |
| SMILES | C1(=NC2=C(C(=C1)C(=O)O)C=C(C=C2C)C)C1=CC=C(C=C1)F |