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4-(3-METHYL-5,5,5-TRIFLUOROMETHYL-1H-PYRROL-1-YL)-7-CHLOROQUINOLINE

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4-(3-METHYL-5,5,5-TRIFLUOROMETHYL-1H-PYRROL-1-YL)-7-CHLOROQUINOLINE
SpectraBase Compound ID 4nu1YMwtVGC
InChI InChI=1S/C14H9ClF3N3/c1-8-6-13(14(16,17)18)21(20-8)12-4-5-19-11-7-9(15)2-3-10(11)12/h2-7H,1H3
InChIKey QCGYFYDSSBUJMZ-UHFFFAOYSA-N
Mol Weight 311.7 g/mol
Molecular Formula C14H9ClF3N3
Exact Mass 311.043709 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K3y4TJtFElF
Name 4-(3-METHYL-5,5,5-TRIFLUOROMETHYL-1H-PYRROL-1-YL)-7-CHLOROQUINOLINE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H9ClF3N3
InChI InChI=1S/C14H9ClF3N3/c1-8-6-13(14(16,17)18)21(20-8)12-4-5-19-11-7-9(15)2-3-10(11)12/h2-7H,1H3
InChIKey QCGYFYDSSBUJMZ-UHFFFAOYSA-N
Literature Reference Author H.G.BONACORSO,C.A.CECHINEL,M.R.OLIVIERA,M.B.COSTA,M.A.P.MART INS,N.ZANATTA,A.F.C.
Literature Reference Citation J.HETCYCL.CHEM.,42,1055(2005)
Literature Reference DOI 10.1002/jhet.5570420604
Molecular Weight 311.694 g/mol
Sample ID 61029
Solvent DMSO-D6