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5-{[1-(4-iodophenyl)-1H-pyrrol-2-yl]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID AuBneyrFEoQ
InChI InChI=1S/C17H14IN3O3/c1-19-15(22)14(16(23)20(2)17(19)24)10-13-4-3-9-21(13)12-7-5-11(18)6-8-12/h3-10H,1-2H3
InChIKey LLPWJQSQBHHZSV-UHFFFAOYSA-N
Mol Weight 435.22 g/mol
Molecular Formula C17H14IN3O3
Exact Mass 435.007986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DFNYGmOB1Un
Name 5-{[1-(4-Iodophenyl)-1H-pyrrol-2-yl]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Comments Computed using HOSE algorithm
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Exact Mass 435.007986320 u
Formula C17H14IN3O3
InChI InChI=1S/C17H14IN3O3/c1-19-15(22)14(16(23)20(2)17(19)24)10-13-4-3-9-21(13)12-7-5-11(18)6-8-12/h3-10H,1-2H3
InChIKey LLPWJQSQBHHZSV-UHFFFAOYSA-N
Molecular Weight 435.221 g/mol
SMILES C1(C(N(C)C(N(C1=O)C)=O)=O)=CC=1N(C2=CC=C(C=C2)I)C=CC1