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3-[3-(4-ethoxyphenoxy)propyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone
SpectraBase Compound ID 90xl1PiIYvP
InChI InChI=1S/C26H26N2O4/c1-3-31-21-13-15-22(16-14-21)32-18-6-17-28-25(19-9-11-20(30-2)12-10-19)27-24-8-5-4-7-23(24)26(28)29/h4-5,7-16H,3,6,17-18H2,1-2H3
InChIKey LQZLEYHJJPLVBB-UHFFFAOYSA-N
Mol Weight 430.5 g/mol
Molecular Formula C26H26N2O4
Exact Mass 430.189257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 79oZlAJ3iOQ
Name 3-[3-(4-Ethoxyphenoxy)propyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
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Exact Mass 430.189257321 u
Formula C26H26N2O4
InChI InChI=1S/C26H26N2O4/c1-3-31-21-13-15-22(16-14-21)32-18-6-17-28-25(19-9-11-20(30-2)12-10-19)27-24-8-5-4-7-23(24)26(28)29/h4-5,7-16H,3,6,17-18H2,1-2H3
InChIKey LQZLEYHJJPLVBB-UHFFFAOYSA-N
Molecular Weight 430.504 g/mol
SMILES CCOC=1C=CC(OCCCN2C(=NC3=C(C2=O)C=CC=C3)C2=CC=C(C=C2)OC)=CC1