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1-(3-METHYLPHENYL)-6-FLUORO-7-PIPERAZINYL-4-OXO-1,4-DIHYDRO-QUINOLINE-3-CARBOXYLIC-ACID
SpectraBase Compound ID D5I5trBsVra
InChI InChI=1S/2C21H20FN3O3/c2*1-13-3-2-4-14(9-13)25-12-16(21(27)28)20(26)15-10-17(22)19(11-18(15)25)24-7-5-23-6-8-24/h2*2-4,9-12,23H,5-8H2,1H3,(H,27,28)
InChIKey XQNCERSINCDFCP-UHFFFAOYSA-N
Mol Weight 762.81 g/mol
Molecular Formula C42H40F2N6O6
Exact Mass 762.297739 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ZqDcpY35C4
Name 1-(3-METHYLPHENYL)-6-FLUORO-7-PIPERAZINYL-4-OXO-1,4-DIHYDRO-QUINOLINE-3-CARBOXYLIC-ACID
Compound Number 6F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H40F2N6O6
InChI InChI=1S/2C21H20FN3O3/c2*1-13-3-2-4-14(9-13)25-12-16(21(27)28)20(26)15-10-17(22)19(11-18(15)25)24-7-5-23-6-8-24/h2*2-4,9-12,23H,5-8H2,1H3,(H,27,28)
InChIKey XQNCERSINCDFCP-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 762.813 g/mol
Solvent DMSO-D6:CF3COOD
Source File Reference UWRU5441