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4-[3-(4-NITROPHENYL)-5,5,5-TRIFLUOROMETHYL-1H-PYRROL-1-YL]-7-CHLOROQUINOLINE
SpectraBase Compound ID K8QymW82IIb
InChI InChI=1S/C19H10ClF3N4O2/c20-12-3-6-14-16(9-12)24-8-7-17(14)26-18(19(21,22)23)10-15(25-26)11-1-4-13(5-2-11)27(28)29/h1-10H
InChIKey VQTWGIFTBXTFAY-UHFFFAOYSA-N
Mol Weight 418.76 g/mol
Molecular Formula C19H10ClF3N4O2
Exact Mass 418.044438 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 79lnTt5QoLF
Name 4-[3-(4-NITROPHENYL)-5,5,5-TRIFLUOROMETHYL-1H-PYRROL-1-YL]-7-CHLOROQUINOLINE
Compound Number 3H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H10ClF3N4O2
InChI InChI=1S/C19H10ClF3N4O2/c20-12-3-6-14-16(9-12)24-8-7-17(14)26-18(19(21,22)23)10-15(25-26)11-1-4-13(5-2-11)27(28)29/h1-10H
InChIKey VQTWGIFTBXTFAY-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 418.762 g/mol
Sample ID 61039
Solvent DMSO-D6