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1-(4-CYANOPHENYL)-6-FLUORO-7-PIPERAZINYL-4-OXO-1,4-DIHYDRO-QUINOLINE-3-CARBOXYLIC-ACID
SpectraBase Compound ID GxlrqTd4880
InChI InChI=1S/2C21H17FN4O3/c2*22-17-9-15-18(10-19(17)25-7-5-24-6-8-25)26(12-16(20(15)27)21(28)29)14-3-1-13(11-23)2-4-14/h2*1-4,9-10,12,24H,5-8H2,(H,28,29)
InChIKey FUCONXUCWWTXAU-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 3hMOWOPu7qw
Name 1-(4-CYANOPHENYL)-6-FLUORO-7-PIPERAZINYL-4-OXO-1,4-DIHYDRO-QUINOLINE-3-CARBOXYLIC-ACID
Compound Number 6V
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H34F2N8O6
InChI InChI=1S/2C21H17FN4O3/c2*22-17-9-15-18(10-19(17)25-7-5-24-6-8-25)26(12-16(20(15)27)21(28)29)14-3-1-13(11-23)2-4-14/h2*1-4,9-10,12,24H,5-8H2,(H,28,29)
InChIKey FUCONXUCWWTXAU-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
Source File Reference UWRU5455