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4-[3-(4-METHYLPHENYL)-5,5,5-TRIFLUOROMETHYL-1H-PYRROL-1-YL]-7-CHLOROQUINOLINE
SpectraBase Compound ID 6CQxLLB3jKx
InChI InChI=1S/C20H13ClF3N3/c1-12-2-4-13(5-3-12)16-11-19(20(22,23)24)27(26-16)18-8-9-25-17-10-14(21)6-7-15(17)18/h2-11H,1H3
InChIKey XGEUTCCMGFSGRB-UHFFFAOYSA-N
Mol Weight 387.79 g/mol
Molecular Formula C20H13ClF3N3
Exact Mass 387.07501 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 196cCQECIEi
Name 4-[3-(4-METHYLPHENYL)-5,5,5-TRIFLUOROMETHYL-1H-PYRROL-1-YL]-7-CHLOROQUINOLINE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H13ClF3N3
InChI InChI=1S/C20H13ClF3N3/c1-12-2-4-13(5-3-12)16-11-19(20(22,23)24)27(26-16)18-8-9-25-17-10-14(21)6-7-15(17)18/h2-11H,1H3
InChIKey XGEUTCCMGFSGRB-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 387.792 g/mol
Sample ID 61034
Solvent DMSO-D6