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(5E)-1-(4-fluorobenzyl)-5-(1-naphthylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 53tvptwJ28c
InChI InChI=1S/C22H15FN2O3/c23-17-10-8-14(9-11-17)13-25-21(27)19(20(26)24-22(25)28)12-16-6-3-5-15-4-1-2-7-18(15)16/h1-12H,13H2,(H,24,26,28)/b19-12+
InChIKey FQMDECHUGXFJEX-XDHOZWIPSA-N
Mol Weight 374.37 g/mol
Molecular Formula C22H15FN2O3
Exact Mass 374.106671 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BeyKsEMO5y9
Name (5E)-1-(4-Fluorobenzyl)-5-(1-naphthylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
Comments Computed using HOSE algorithm
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Exact Mass 374.106670511 u
Formula C22H15FN2O3
InChI InChI=1S/C22H15FN2O3/c23-17-10-8-14(9-11-17)13-25-21(27)19(20(26)24-22(25)28)12-16-6-3-5-15-4-1-2-7-18(15)16/h1-12H,13H2,(H,24,26,28)/b19-12+
InChIKey FQMDECHUGXFJEX-XDHOZWIPSA-N
Molecular Weight 374.371 g/mol
SMILES N1C(\C(C(N(C1=O)CC=1C=CC(=CC1)F)=O)=C\C=1C2=C(C=CC=C2)C=CC1)=O