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3-{2-[2-(4-chlorophenoxy)ethoxy]ethyl}-2-(4-chlorophenyl)-4(3H)-quinazolinone
SpectraBase Compound ID AothjiVFMDg
InChI InChI=1S/C24H20Cl2N2O3/c25-18-7-5-17(6-8-18)23-27-22-4-2-1-3-21(22)24(29)28(23)13-14-30-15-16-31-20-11-9-19(26)10-12-20/h1-12H,13-16H2
InChIKey HTKPIAIHVMDQKY-UHFFFAOYSA-N
Mol Weight 455.34 g/mol
Molecular Formula C24H20Cl2N2O3
Exact Mass 454.085098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DV6Wfy4H9ZO
Name 3-{2-[2-(4-Chlorophenoxy)ethoxy]ethyl}-2-(4-chlorophenyl)-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
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Exact Mass 454.085097909 u
Formula C24H20Cl2N2O3
InChI InChI=1S/C24H20Cl2N2O3/c25-18-7-5-17(6-8-18)23-27-22-4-2-1-3-21(22)24(29)28(23)13-14-30-15-16-31-20-11-9-19(26)10-12-20/h1-12H,13-16H2
InChIKey HTKPIAIHVMDQKY-UHFFFAOYSA-N
Molecular Weight 455.341 g/mol
SMILES C=1C=CC=2C(N(C(=NC2C1)C=1C=CC(=CC1)Cl)CCOCCOC1=CC=C(C=C1)Cl)=O