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3-(3-chlorophenyl)-2-[(E)-2-(2-pyridinyl)ethenyl]-4(3H)-quinazolinone
SpectraBase Compound ID IpEIkuuo9yM
InChI InChI=1S/C21H14ClN3O/c22-15-6-5-8-17(14-15)25-20(12-11-16-7-3-4-13-23-16)24-19-10-2-1-9-18(19)21(25)26/h1-14H/b12-11+
InChIKey BJLLTRYVLZTBPB-VAWYXSNFSA-N
Mol Weight 359.82 g/mol
Molecular Formula C21H14ClN3O
Exact Mass 359.08254 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID j3DqI3P82J
Name 3-(3-Chlorophenyl)-2-[(E)-2-(2-pyridinyl)ethenyl]-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
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Exact Mass 359.082539782 u
Formula C21H14ClN3O
InChI InChI=1S/C21H14ClN3O/c22-15-6-5-8-17(14-15)25-20(12-11-16-7-3-4-13-23-16)24-19-10-2-1-9-18(19)21(25)26/h1-14H/b12-11+
InChIKey BJLLTRYVLZTBPB-VAWYXSNFSA-N
Molecular Weight 359.816 g/mol
SMILES C=1C=CN=C(\C=C\C=2N(C(C=3C=CC=CC3N2)=O)C2=CC(Cl)=CC=C2)C1