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5-[(1E)-buta-1,3-dienyl]-6-(dimethylamino)-2,3-diphenyl-4-pyrimidinone
SpectraBase Compound ID DmliE9j59VD
InChI InChI=1S/C22H21N3O/c1-4-5-16-19-21(24(2)3)23-20(17-12-8-6-9-13-17)25(22(19)26)18-14-10-7-11-15-18/h4-16H,1H2,2-3H3/b16-5+
InChIKey NOTOHMXWLACJGU-FZSIALSZSA-N
Mol Weight 343.43 g/mol
Molecular Formula C22H21N3O
Exact Mass 343.168462 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G3TxZMT1KiT
Name 5-[(1E)-Buta-1,3-dienyl]-6-(dimethylamino)-2,3-diphenyl-4-pyrimidinone
Comments Computed using HOSE algorithm
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Exact Mass 343.168462307 u
Formula C22H21N3O
InChI InChI=1S/C22H21N3O/c1-4-5-16-19-21(24(2)3)23-20(17-12-8-6-9-13-17)25(22(19)26)18-14-10-7-11-15-18/h4-16H,1H2,2-3H3/b16-5+
InChIKey NOTOHMXWLACJGU-FZSIALSZSA-N
Molecular Weight 343.430 g/mol
SMILES C1(=NC(=C(C(N1C=1C=CC=CC1)=O)\C=C\C=C)N(C)C)C1=CC=CC=C1