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3-[4-(2-chloro-5-methylphenoxy)butyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone

View entire compound with spectra: 2 NMR

3-[4-(2-chloro-5-methylphenoxy)butyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone
SpectraBase Compound ID 998Bta13Epm
InChI InChI=1S/C26H25ClN2O3/c1-18-9-14-22(27)24(17-18)32-16-6-5-15-29-25(19-10-12-20(31-2)13-11-19)28-23-8-4-3-7-21(23)26(29)30/h3-4,7-14,17H,5-6,15-16H2,1-2H3
InChIKey GVBGOKWFMDGKTB-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 DudJvgZ807h
Name 3-[4-(2-Chloro-5-methylphenoxy)butyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.155370370 u
Formula C26H25ClN2O3
InChI InChI=1S/C26H25ClN2O3/c1-18-9-14-22(27)24(17-18)32-16-6-5-15-29-25(19-10-12-20(31-2)13-11-19)28-23-8-4-3-7-21(23)26(29)30/h3-4,7-14,17H,5-6,15-16H2,1-2H3
InChIKey GVBGOKWFMDGKTB-UHFFFAOYSA-N
Molecular Weight 448.950 g/mol
SMILES C=1C=CC=2C(N(C(=NC2C1)C=1C=CC(=CC1)OC)CCCCOC1=C(C=CC(=C1)C)Cl)=O