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4-[3-(4-METHOXYPHENYL)-5,5,5-TRIFLUOROMETHYL-1H-PYRROL-1-YL]-7-CHLOROQUINOLINE
SpectraBase Compound ID LTXnHA2Imyo
InChI InChI=1S/C20H13ClF3N3O/c1-28-14-5-2-12(3-6-14)16-11-19(20(22,23)24)27(26-16)18-8-9-25-17-10-13(21)4-7-15(17)18/h2-11H,1H3
InChIKey VLLZOVSTLXFOML-UHFFFAOYSA-N
Mol Weight 403.79 g/mol
Molecular Formula C20H13ClF3N3O
Exact Mass 403.069924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KYmkcTkpObx
Name 4-[3'-(p-Methoxyphenyl)-5'-(trifluoromethyl)-1H-pyrazol-1'-yl]-7-chloroquinoline
Alternate Name(s) 4-[1-(7-chloro-4-quinolinyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl methyl ether 7-Chloro-4-[3-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]quinoline 7-Chloro-4-[3-(4-methoxyphenyl)-5-(trifluoromethyl)-1-pyrazolyl]quinoline 7-Chloranyl-4-[3-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]quinoline
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Formula C20H13ClF3N3O
InChI InChI=1S/C20H13ClF3N3O/c1-28-14-5-2-12(3-6-14)16-11-19(20(22,23)24)27(26-16)18-8-9-25-17-10-13(21)4-7-15(17)18/h2-11H,1H3
InChIKey VLLZOVSTLXFOML-UHFFFAOYSA-N
Molecular Weight 403.792 g/mol
SMILES c1([n](nc(c1)-c1ccc(cc1)OC)-c1c2c(cc(cc2)Cl)ncc1)C(F)(F)F
SPLASH splash10-0udi-0101900000-a137cc0c98ccd0339202
Source of Spectrum AJ-42-1060-3
Wiley ID 1568139