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3-(2,6-dichlorophenyl)-6-iodo-2-[(E)-2-phenylethenyl]-4(3H)-quinazolinone
SpectraBase Compound ID B0cGSH1js82
InChI InChI=1S/C22H13Cl2IN2O/c23-17-7-4-8-18(24)21(17)27-20(12-9-14-5-2-1-3-6-14)26-19-11-10-15(25)13-16(19)22(27)28/h1-13H/b12-9+
InChIKey UHDPZGCXYLIKGM-FMIVXFBMSA-N
Mol Weight 519.17 g/mol
Molecular Formula C22H13Cl2IN2O
Exact Mass 517.944963 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J7ndDHCc62X
Name 3-(2,6-Dichlorophenyl)-6-iodo-2-[(E)-2-phenylethenyl]-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
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Exact Mass 517.944963446 u
Formula C22H13Cl2IN2O
InChI InChI=1S/C22H13Cl2IN2O/c23-17-7-4-8-18(24)21(17)27-20(12-9-14-5-2-1-3-6-14)26-19-11-10-15(25)13-16(19)22(27)28/h1-13H/b12-9+
InChIKey UHDPZGCXYLIKGM-FMIVXFBMSA-N
Molecular Weight 519.169 g/mol
SMILES C=1C=CC(\C=C\C=2N(C(C=3C=C(I)C=CC3N2)=O)C=2C(Cl)=CC=CC2Cl)=CC1