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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID COEU81hyKpd
Name 4-[3-(4-METHOXYPHENYL)-5,5,5-TRIFLUOROMETHYL-1H-PYRROL-1-YL]-7-CHLOROQUINOLINE
Compound Number 3G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
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
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 403.791 g/mol
Sample ID 61038
Solvent DMSO-D6