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1-ETHYL-6-FLUORO-1,4-DIHYDRO-4-OXO-7-[1'-(4'-N-(CHLOROMETHYLOXYCARBONYL)-PIPERAZINYL)]-3-QUINOLINE-CARBOXYLIC-ACID
SpectraBase Compound ID EjPk0gFwI1c
InChI InChI=1S/C18H19ClFN3O5/c1-2-21-9-12(17(25)26)16(24)11-7-13(20)15(8-14(11)21)22-3-5-23(6-4-22)18(27)28-10-19/h7-9H,2-6,10H2,1H3,(H,25,26)
InChIKey BHFGIOWKZDAGCC-UHFFFAOYSA-N
Mol Weight 411.82 g/mol
Molecular Formula C18H19ClFN3O5
Exact Mass 411.099727 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3IIFQTLYAZB
Name 1-ETHYL-6-FLUORO-1,4-DIHYDRO-4-OXO-7-[1'-(4'-N-(CHLOROMETHYLOXYCARBONYL)-PIPERAZINYL)]-3-QUINOLINE-CARBOXYLIC-ACID
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H19ClFN3O5
InChI InChI=1S/C18H19ClFN3O5/c1-2-21-9-12(17(25)26)16(24)11-7-13(20)15(8-14(11)21)22-3-5-23(6-4-22)18(27)28-10-19/h7-9H,2-6,10H2,1H3,(H,25,26)
InChIKey BHFGIOWKZDAGCC-UHFFFAOYSA-N
Literature Reference Author C.HENNARD,Q.C.TRUONG,J.F.DESNOTTES,J.M.PARIS,N.J.MOREAU,M.A. ABDALLAH
Literature Reference Citation J.MED.CHEM.,44,2139(2001)
Literature Reference DOI 10.1021/jm990508g
Molecular Weight 411.817 g/mol
Sample ID 44556
Solvent CDCl3