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3-(3-methylphenyl)-2-[(E)-2-(2-pyridinyl)ethenyl]-4(3H)-quinazolinone

View entire compound with spectra: 2 NMR

3-(3-methylphenyl)-2-[(E)-2-(2-pyridinyl)ethenyl]-4(3H)-quinazolinone
SpectraBase Compound ID KtGyeyUbFva
InChI InChI=1S/C22H17N3O/c1-16-7-6-9-18(15-16)25-21(13-12-17-8-4-5-14-23-17)24-20-11-3-2-10-19(20)22(25)26/h2-15H,1H3/b13-12+
InChIKey MVBMUGCZEUQKIZ-OUKQBFOZSA-N
Mol Weight 339.4 g/mol
Molecular Formula C22H17N3O
Exact Mass 339.137162 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9VnZbu1AtwQ
Name 3-(3-Methylphenyl)-2-[(E)-2-(2-pyridinyl)ethenyl]-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
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Exact Mass 339.137162178 u
Formula C22H17N3O
InChI InChI=1S/C22H17N3O/c1-16-7-6-9-18(15-16)25-21(13-12-17-8-4-5-14-23-17)24-20-11-3-2-10-19(20)22(25)26/h2-15H,1H3/b13-12+
InChIKey MVBMUGCZEUQKIZ-OUKQBFOZSA-N
Molecular Weight 339.398 g/mol
SMILES C=1C=CN=C(\C=C\C=2N(C(C=3C=CC=CC3N2)=O)C2=CC(C)=CC=C2)C1