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2-(4-chlorophenyl)-3-{2-[2-(4-methylphenoxy)ethoxy]ethyl}-4(3H)-quinazolinone
SpectraBase Compound ID 1QYXREaGyUl
InChI InChI=1S/C25H23ClN2O3/c1-18-6-12-21(13-7-18)31-17-16-30-15-14-28-24(19-8-10-20(26)11-9-19)27-23-5-3-2-4-22(23)25(28)29/h2-13H,14-17H2,1H3
InChIKey PYKKINWQNKDMGG-UHFFFAOYSA-N
Mol Weight 434.92 g/mol
Molecular Formula C25H23ClN2O3
Exact Mass 434.13972 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EywCtCAvZg2
Name 2-(4-Chlorophenyl)-3-{2-[2-(4-methylphenoxy)ethoxy]ethyl}-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
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Exact Mass 434.139720306 u
Formula C25H23ClN2O3
InChI InChI=1S/C25H23ClN2O3/c1-18-6-12-21(13-7-18)31-17-16-30-15-14-28-24(19-8-10-20(26)11-9-19)27-23-5-3-2-4-22(23)25(28)29/h2-13H,14-17H2,1H3
InChIKey PYKKINWQNKDMGG-UHFFFAOYSA-N
Molecular Weight 434.923 g/mol
SMILES C=1C=CC=2C(N(C(=NC2C1)C=1C=CC(=CC1)Cl)CCOCCOC1=CC=C(C=C1)C)=O