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5-ethyl-1-phenyl-5-(tetrafluorophthalimido)barbituric acid
SpectraBase Compound ID 45B20rLzdgY
InChI InChI=1S/C20H11F4N3O5/c1-2-20(17(30)25-19(32)26(18(20)31)8-6-4-3-5-7-8)27-15(28)9-10(16(27)29)12(22)14(24)13(23)11(9)21/h3-7H,2H2,1H3,(H,25,30,32)
InChIKey VEOGKKIBNYROKA-UHFFFAOYSA-N
Mol Weight 449.32 g/mol
Molecular Formula C20H11F4N3O5
Exact Mass 449.063483 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GiyIsY4Eer
Name 5-ETHYL-1-PHENYL-5-(TETRAFLUOROPHTHALIMIDO)-BARBITURIC-ACID
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H11F4N3O5
InChI InChI=1S/C20H11F4N3O5/c1-2-20(17(30)25-19(32)26(18(20)31)8-6-4-3-5-7-8)27-15(28)9-10(16(27)29)12(22)14(24)13(23)11(9)21/h3-7H,2H2,1H3,(H,25,30,32)
InChIKey VEOGKKIBNYROKA-UHFFFAOYSA-N
Literature Reference Author M.GUETSCHOW,T.HECKER,A.THIELE,S.HAUSCHILDT,K.EGER
Literature Reference Citation BIOORG.MED.CHEM.,9,1059(2001)
Literature Reference DOI 10.1016/S0968-0896(00)00323-0
Molecular Weight 449.318 g/mol
Solvent DMSO-D6
Source File Reference UWLU21948