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4-[5-HYDROXY-3-(4-METHYLPHENYL)-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-7-CHLOROQUINOLINE
SpectraBase Compound ID I2Ef8UiP9XS
InChI InChI=1S/C20H15ClF3N3O/c1-12-2-4-13(5-3-12)17-11-19(28,20(22,23)24)27(26-17)18-8-9-25-16-10-14(21)6-7-15(16)18/h2-10,28H,11H2,1H3
InChIKey QNPSRZTVXGKJAX-UHFFFAOYSA-N
Mol Weight 405.81 g/mol
Molecular Formula C20H15ClF3N3O
Exact Mass 405.085574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JsUM8NjCDzD
Name 2-(7-Chloranylquinolin-4-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
Alternate Name(s) 2-(7-Chloro-4-quinolinyl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol 2-(7-Chloro-4-quinolyl)-5-(p-tolyl)-3-(trifluoromethyl)-2-pyrazolin-3-ol 2-(7-Chloro-4-quinolyl)-5-(p-tolyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol 2-(7-Chloroquinolin-4-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
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Formula C20H15ClF3N3O
InChI InChI=1S/C20H15ClF3N3O/c1-12-2-4-13(5-3-12)17-11-19(28,20(22,23)24)27(26-17)18-8-9-25-16-10-14(21)6-7-15(16)18/h2-10,28H,11H2,1H3
InChIKey QNPSRZTVXGKJAX-UHFFFAOYSA-N
Molecular Weight 405.808 g/mol
SMILES OC1(N(N=C(C1)c1ccc(cc1)C)c1c2c(cc(cc2)Cl)ncc1)C(F)(F)F
SPLASH splash10-0a4r-1408900000-e406562d8b849d9c5d74
Source of Spectrum AJ-42-1058-2
Wiley ID 1568155