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1-(2-CYANOPHENYL)-6-FLUORO-7-PIPERAZINYL-4-OXO-1,4-DIHYDRO-QUINOLINE-3-CARBOXYLIC-ACID
SpectraBase Compound ID BfX2qiZom1
InChI InChI=1S/2C21H17FN4O3/c2*22-16-9-14-18(10-19(16)25-7-5-24-6-8-25)26(12-15(20(14)27)21(28)29)17-4-2-1-3-13(17)11-23/h2*1-4,9-10,12,24H,5-8H2,(H,28,29)
InChIKey ZTVFDWSREHNVMU-UHFFFAOYSA-N
Mol Weight 784.78 g/mol
Molecular Formula C42H34F2N8O6
Exact Mass 784.256937 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1iRA73cS8qP
Name 1-(2-CYANOPHENYL)-6-FLUORO-7-PIPERAZINYL-4-OXO-1,4-DIHYDRO-QUINOLINE-3-CARBOXYLIC-ACID
Compound Number 6T
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H34F2N8O6
InChI InChI=1S/2C21H17FN4O3/c2*22-16-9-14-18(10-19(16)25-7-5-24-6-8-25)26(12-15(20(14)27)21(28)29)17-4-2-1-3-13(17)11-23/h2*1-4,9-10,12,24H,5-8H2,(H,28,29)
InChIKey ZTVFDWSREHNVMU-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 784.779 g/mol
Solvent DMSO-D6:CF3COOD
Source File Reference UWRU5453