![2-[p-Chlorophenyl]-8-methylcinchoninic acid](/api/spectrum/HvaMijskQI3/structure.png?h=300&w=458 "2-[p-Chlorophenyl]-8-methylcinchoninic acid")
| SpectraBase Compound ID | 4VZTLEV8cRF |
|---|---|
| InChI | InChI=1S/C17H12ClNO2/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 | ZMIYWPBMCVFZAO-UHFFFAOYSA-N |
| Mol Weight | 297.74 g/mol |
| Molecular Formula | C17H12ClNO2 |
| Exact Mass | 297.055656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HvaMijskQI3 |
|---|---|
| Name | 2-[p-Chlorophenyl]-8-methylcinchoninic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.055656328 u |
| Formula | C17H12ClNO2 |
| InChI | InChI=1S/C17H12ClNO2/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 | ZMIYWPBMCVFZAO-UHFFFAOYSA-N |
| Molecular Weight | 297.741 g/mol |
| SMILES | C1(Cl)=CC=C(C=C1)C=1C=C(C(O)=O)C2=CC=CC(C)=C2N1 |