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[(E)-4-HYDROXY-2-BUTENE-1-YL]-7-CHLORO-1-[(E)-4-CHLOROBUTENE-1-YL]-1,4-DIHYDRO-6-FLUORO-4-OXO-QUINOLINE-3-CARBOXYLIC-ACID
SpectraBase Compound ID Gz6nE1oFgLo
InChI InChI=1S/C18H16Cl2FNO4/c19-5-1-2-6-22-11-13(18(25)26-8-4-3-7-23)17(24)12-9-15(21)14(20)10-16(12)22/h1-4,9-11,23H,5-8H2/b2-1+,4-3+
InChIKey ZMLKZTQSVGCYMT-MVJNYCIBSA-N
Mol Weight 400.23 g/mol
Molecular Formula C18H16Cl2FNO4
Exact Mass 399.044042 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G0wEpnuafP0
Name [(E)-4-HYDROXY-2-BUTENE-1-YL]-7-CHLORO-1-[(E)-4-CHLOROBUTENE-1-YL]-1,4-DIHYDRO-6-FLUORO-4-OXO-QUINOLINE-3-CARBOXYLIC-ACID
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H16Cl2FNO4
InChI InChI=1S/C18H16Cl2FNO4/c19-5-1-2-6-22-11-13(18(25)26-8-4-3-7-23)17(24)12-9-15(21)14(20)10-16(12)22/h1-4,9-11,23H,5-8H2/b2-1+,4-3+
InChIKey ZMLKZTQSVGCYMT-MVJNYCIBSA-N
Literature Reference Author N.A.AL-MASOUDI,Y.A.AL-SOUD,M.EHERMAN,E.D.CLERCQ
Literature Reference Citation BIOORG.MED.CHEM.,8,1407(2000)
Literature Reference DOI 10.1016/S0968-0896(00)00067-5
Molecular Weight 400.234 g/mol
Solvent DMSO-D6
Source File Reference UWVN20261