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4-[3-(4-BROMOPHENYL)-5,5,5-TRIFLUOROMETHYL-1H-PYRROL-1-YL]-7-CHLOROQUINOLINE
SpectraBase Compound ID 42OJ5suUwzP
InChI InChI=1S/C19H10BrClF3N3/c20-12-3-1-11(2-4-12)15-10-18(19(22,23)24)27(26-15)17-7-8-25-16-9-13(21)5-6-14(16)17/h1-10H
InChIKey UFSYSYDDBATPOT-UHFFFAOYSA-N
Mol Weight 452.66 g/mol
Molecular Formula C19H10BrClF3N3
Exact Mass 450.969873 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dyfz5jH4FtK
Name 4-[3-(4-BROMOPHENYL)-5,5,5-TRIFLUOROMETHYL-1H-PYRROL-1-YL]-7-CHLOROQUINOLINE
Compound Number 3F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H10BrClF3N3
InChI InChI=1S/C19H10BrClF3N3/c20-12-3-1-11(2-4-12)15-10-18(19(22,23)24)27(26-15)17-7-8-25-16-9-13(21)5-6-14(16)17/h1-10H
InChIKey UFSYSYDDBATPOT-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 452.661 g/mol
Sample ID 61037
Solvent DMSO-D6