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(5E)-5-(4-tert-butylbenzylidene)-1-(4-fluorophenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

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(5E)-5-(4-tert-butylbenzylidene)-1-(4-fluorophenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID EM1WlzVNR7l
InChI InChI=1S/C21H19FN2O3/c1-21(2,3)14-6-4-13(5-7-14)12-17-18(25)23-20(27)24(19(17)26)16-10-8-15(22)9-11-16/h4-12H,1-3H3,(H,23,25,27)/b17-12+
InChIKey KWTKITPUPLGJRJ-SFQUDFHCSA-N
Mol Weight 366.39 g/mol
Molecular Formula C21H19FN2O3
Exact Mass 366.137971 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B4zkKltiQKy
Name (5E)-5-(4-Tert-butylbenzylidene)-1-(4-fluorophenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.137970640 u
Formula C21H19FN2O3
InChI InChI=1S/C21H19FN2O3/c1-21(2,3)14-6-4-13(5-7-14)12-17-18(25)23-20(27)24(19(17)26)16-10-8-15(22)9-11-16/h4-12H,1-3H3,(H,23,25,27)/b17-12+
InChIKey KWTKITPUPLGJRJ-SFQUDFHCSA-N
Molecular Weight 366.392 g/mol
SMILES N1C(\C(C(N(C1=O)C1=CC=C(C=C1)F)=O)=C\C1=CC=C(C(C)(C)C)C=C1)=O