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3-[5-(2-chlorophenoxy)pentyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone

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3-[5-(2-chlorophenoxy)pentyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone
SpectraBase Compound ID 2gAJQtFCK1P
InChI InChI=1S/C26H25ClN2O3/c1-31-20-15-13-19(14-16-20)25-28-23-11-5-3-9-21(23)26(30)29(25)17-7-2-8-18-32-24-12-6-4-10-22(24)27/h3-6,9-16H,2,7-8,17-18H2,1H3
InChIKey IBTORNMBNULERS-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 2hp9ldpK3ws
Name 3-[5-(2-Chlorophenoxy)pentyl]-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/c1-31-20-15-13-19(14-16-20)25-28-23-11-5-3-9-21(23)26(30)29(25)17-7-2-8-18-32-24-12-6-4-10-22(24)27/h3-6,9-16H,2,7-8,17-18H2,1H3
InChIKey IBTORNMBNULERS-UHFFFAOYSA-N
Molecular Weight 448.950 g/mol
SMILES C=1C=CC(=C(OCCCCCN2C(=NC3=C(C2=O)C=CC=C3)C=2C=CC(=CC2)OC)C1)Cl