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1-(4-TRIFLUOROMETHYLPHENYL)-6-FLUORO-7-PIPERAZINYL-4-OXO-1,4-DIHYDRO-QUINOLINE-3-CARBOXYLIC-ACID

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1-(4-TRIFLUOROMETHYLPHENYL)-6-FLUORO-7-PIPERAZINYL-4-OXO-1,4-DIHYDRO-QUINOLINE-3-CARBOXYLIC-ACID
SpectraBase Compound ID FgwaARXdJj
InChI InChI=1S/2C21H17F4N3O3/c2*22-16-9-14-17(10-18(16)27-7-5-26-6-8-27)28(11-15(19(14)29)20(30)31)13-3-1-12(2-4-13)21(23,24)25/h2*1-4,9-11,26H,5-8H2,(H,30,31)
InChIKey IQNONEAUGVWJAB-UHFFFAOYSA-N
Mol Weight 870.76 g/mol
Molecular Formula C42H34F8N6O6
Exact Mass 870.241208 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Gd2cSPtGIA
Name 1-(4-TRIFLUOROMETHYLPHENYL)-6-FLUORO-7-PIPERAZINYL-4-OXO-1,4-DIHYDRO-QUINOLINE-3-CARBOXYLIC-ACID
Compound Number 6K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H34F8N6O6
InChI InChI=1S/2C21H17F4N3O3/c2*22-16-9-14-17(10-18(16)27-7-5-26-6-8-27)28(11-15(19(14)29)20(30)31)13-3-1-12(2-4-13)21(23,24)25/h2*1-4,9-11,26H,5-8H2,(H,30,31)
InChIKey IQNONEAUGVWJAB-UHFFFAOYSA-N
Literature Reference Author J.JUERGENS,H.SCHEDLETZKY,P.HEISIG,J.K.SEYDEL,B.WIEDEMANN,U.H OLZGRABE
Literature Reference Citation ARCH.PHARM.,329,179(1996)
Literature Reference DOI 10.1002/ardp.19963290403
Molecular Weight 870.756 g/mol
Solvent DMSO-D6
Source File Reference UWRU5445