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1-(3-FLUOROPHENYL)-6-FLUORO-7-PIPERAZINYL-4-OXO-1,4-DIHYDRO-QUINOLINE-3-CARBOXYLIC-ACID
SpectraBase Compound ID 2wNUCCzwhGv
InChI InChI=1S/2C20H17F2N3O3/c2*21-12-2-1-3-13(8-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-6-4-23-5-7-24/h2*1-3,8-11,23H,4-7H2,(H,27,28)
InChIKey CQYPRJIJOKYZSH-UHFFFAOYSA-N
Mol Weight 770.74 g/mol
Molecular Formula C40H34F4N6O6
Exact Mass 770.247595 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ZPzxK74FXa
Name 1-(3-FLUOROPHENYL)-6-FLUORO-7-PIPERAZINYL-4-OXO-1,4-DIHYDRO-QUINOLINE-3-CARBOXYLIC-ACID
Compound Number 6M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H34F4N6O6
InChI InChI=1S/2C20H17F2N3O3/c2*21-12-2-1-3-13(8-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-6-4-23-5-7-24/h2*1-3,8-11,23H,4-7H2,(H,27,28)
InChIKey CQYPRJIJOKYZSH-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 770.740 g/mol
Solvent DMSO-D6
Source File Reference UWRU5447