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6-iodo-3-(3-methoxyphenyl)-2-[(E)-2-(2-pyridinyl)ethenyl]-4(3H)-quinazolinone
SpectraBase Compound ID 5cKvKZ9aKDI
InChI InChI=1S/C22H16IN3O2/c1-28-18-7-4-6-17(14-18)26-21(11-9-16-5-2-3-12-24-16)25-20-10-8-15(23)13-19(20)22(26)27/h2-14H,1H3/b11-9+
InChIKey CBAURIJPZJICKQ-PKNBQFBNSA-N
Mol Weight 481.29 g/mol
Molecular Formula C22H16IN3O2
Exact Mass 481.028722 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2OrNXKLx3Cg
Name 6-Iodo-3-(3-methoxyphenyl)-2-[(E)-2-(2-pyridinyl)ethenyl]-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
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Exact Mass 481.028721765 u
Formula C22H16IN3O2
InChI InChI=1S/C22H16IN3O2/c1-28-18-7-4-6-17(14-18)26-21(11-9-16-5-2-3-12-24-16)25-20-10-8-15(23)13-19(20)22(26)27/h2-14H,1H3/b11-9+
InChIKey CBAURIJPZJICKQ-PKNBQFBNSA-N
Molecular Weight 481.293 g/mol
SMILES C=1C=CN=C(\C=C\C=2N(C(C=3C=C(I)C=CC3N2)=O)C=2C=C(OC)C=CC2)C1