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3-{2-[2-(2-fluorophenoxy)ethoxy]ethyl}-2-(4-methoxyphenyl)-4(3H)-quinazolinone
SpectraBase Compound ID 9ZAhO6x5waj
InChI InChI=1S/C25H23FN2O4/c1-30-19-12-10-18(11-13-19)24-27-22-8-4-2-6-20(22)25(29)28(24)14-15-31-16-17-32-23-9-5-3-7-21(23)26/h2-13H,14-17H2,1H3
InChIKey KYHLBIGUTYPWCL-UHFFFAOYSA-N
Mol Weight 434.47 g/mol
Molecular Formula C25H23FN2O4
Exact Mass 434.164185 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 391kHFTH4rx
Name 3-{2-[2-(2-Fluorophenoxy)ethoxy]ethyl}-2-(4-methoxyphenyl)-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
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Exact Mass 434.164185388 u
Formula C25H23FN2O4
InChI InChI=1S/C25H23FN2O4/c1-30-19-12-10-18(11-13-19)24-27-22-8-4-2-6-20(22)25(29)28(24)14-15-31-16-17-32-23-9-5-3-7-21(23)26/h2-13H,14-17H2,1H3
InChIKey KYHLBIGUTYPWCL-UHFFFAOYSA-N
Molecular Weight 434.467 g/mol
SMILES C=1C=CC(=C(OCCOCCN2C(=NC3=C(C2=O)C=CC=C3)C=2C=CC(=CC2)OC)C1)F