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3-[5-(4-chlorophenoxy)pentyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone
SpectraBase Compound ID 5GoelR7K1uv
InChI InChI=1S/C26H25ClN2O3/c1-31-21-13-9-19(10-14-21)25-28-24-8-4-3-7-23(24)26(30)29(25)17-5-2-6-18-32-22-15-11-20(27)12-16-22/h3-4,7-16H,2,5-6,17-18H2,1H3
InChIKey STPZAWUPSMAURE-UHFFFAOYSA-N
Mol Weight 448.95 g/mol
Molecular Formula C26H25ClN2O3
Exact Mass 448.15537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6W79CD9lCmJ
Name 3-[5-(4-Chlorophenoxy)pentyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
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Exact Mass 448.155370370 u
Formula C26H25ClN2O3
InChI InChI=1S/C26H25ClN2O3/c1-31-21-13-9-19(10-14-21)25-28-24-8-4-3-7-23(24)26(30)29(25)17-5-2-6-18-32-22-15-11-20(27)12-16-22/h3-4,7-16H,2,5-6,17-18H2,1H3
InChIKey STPZAWUPSMAURE-UHFFFAOYSA-N
Molecular Weight 448.950 g/mol
SMILES C=1C=CC=2C(N(C(=NC2C1)C=1C=CC(=CC1)OC)CCCCCOC1=CC=C(C=C1)Cl)=O