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(E)-1-(3-Chlorophenyl)-5-[(E)-3-phenylallylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
SpectraBase Compound ID 3YTgxlL30KX
InChI InChI=1S/C19H13ClN2O3/c20-14-9-5-10-15(12-14)22-18(24)16(17(23)21-19(22)25)11-4-8-13-6-2-1-3-7-13/h1-12H,(H,21,23,25)/b8-4+,16-11+
InChIKey YRHCBLOEOXRQJT-MBXCTOFRSA-N
Mol Weight 352.78 g/mol
Molecular Formula C19H13ClN2O3
Exact Mass 352.06147 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BNx3Wkb3tzO
Name (E)-1-(3-Chlorophenyl)-5-[(E)-3-phenylallylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Comments Computed using HOSE algorithm
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Exact Mass 352.061469984 u
Formula C19H13ClN2O3
InChI InChI=1S/C19H13ClN2O3/c20-14-9-5-10-15(12-14)22-18(24)16(17(23)21-19(22)25)11-4-8-13-6-2-1-3-7-13/h1-12H,(H,21,23,25)/b8-4+,16-11+
InChIKey YRHCBLOEOXRQJT-MBXCTOFRSA-N
Molecular Weight 352.777 g/mol
SMILES C1(NC(\C(C(N1C1=CC(=CC=C1)Cl)=O)=C/C=C/C1=CC=CC=C1)=O)=O