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1-(3,4-Dimethoxyphenyl)-3-[4-(1H-imidazol-1-yl)phenyl]prop-2-en-1-one
SpectraBase Compound ID 9AFIqemPxhQ
InChI InChI=1S/C20H18N2O3/c1-24-19-10-6-16(13-20(19)25-2)18(23)9-5-15-3-7-17(8-4-15)22-12-11-21-14-22/h3-14H,1-2H3/b9-5+
InChIKey QOAXMLYUICTIPO-WEVVVXLNSA-N
Mol Weight 334.38 g/mol
Molecular Formula C20H18N2O3
Exact Mass 334.131742 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID qPEvTppXh
Name 1-(3,4-Dimethoxyphenyl)-3-[4-(1H-imidazol-1-yl)phenyl]prop-2-en-1-one
Comments Computed using HOSE algorithm
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Exact Mass 334.131742445 u
Formula C20H18N2O3
InChI InChI=1S/C20H18N2O3/c1-24-19-10-6-16(13-20(19)25-2)18(23)9-5-15-3-7-17(8-4-15)22-12-11-21-14-22/h3-14H,1-2H3/b9-5+
InChIKey QOAXMLYUICTIPO-WEVVVXLNSA-N
Molecular Weight 334.375 g/mol
SMILES C=1N(C=CN1)C1=CC=C(\C=C\C(C2=CC(OC)=C(C=C2)OC)=O)C=C1