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3-[2-(4-chlorophenoxy)ethyl]-2-(4-chlorophenyl)-4(3H)-quinazolinone
SpectraBase Compound ID 4VIj8h3oqDH
InChI InChI=1S/C22H16Cl2N2O2/c23-16-7-5-15(6-8-16)21-25-20-4-2-1-3-19(20)22(27)26(21)13-14-28-18-11-9-17(24)10-12-18/h1-12H,13-14H2
InChIKey WPZGZNXLZNZULF-UHFFFAOYSA-N
Mol Weight 411.29 g/mol
Molecular Formula C22H16Cl2N2O2
Exact Mass 410.058883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5OFVyZwW7Ty
Name 3-[2-(4-Chlorophenoxy)ethyl]-2-(4-chlorophenyl)-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
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Exact Mass 410.058883161 u
Formula C22H16Cl2N2O2
InChI InChI=1S/C22H16Cl2N2O2/c23-16-7-5-15(6-8-16)21-25-20-4-2-1-3-19(20)22(27)26(21)13-14-28-18-11-9-17(24)10-12-18/h1-12H,13-14H2
InChIKey WPZGZNXLZNZULF-UHFFFAOYSA-N
Molecular Weight 411.288 g/mol
SMILES C=1C=CC=2C(N(C(=NC2C1)C=1C=CC(=CC1)Cl)CCOC1=CC=C(C=C1)Cl)=O