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2-(4-chlorophenyl)-3-[4-(2,6-dimethylphenoxy)butyl]-4(3H)-quinazolinone

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2-(4-chlorophenyl)-3-[4-(2,6-dimethylphenoxy)butyl]-4(3H)-quinazolinone
SpectraBase Compound ID GnFQkNUgImM
InChI InChI=1S/C26H25ClN2O2/c1-18-8-7-9-19(2)24(18)31-17-6-5-16-29-25(20-12-14-21(27)15-13-20)28-23-11-4-3-10-22(23)26(29)30/h3-4,7-15H,5-6,16-17H2,1-2H3
InChIKey LLFUMAZSQCYTQR-UHFFFAOYSA-N
Mol Weight 432.95 g/mol
Molecular Formula C26H25ClN2O2
Exact Mass 432.160456 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IEXr9dzm9Qv
Name 2-(4-Chlorophenyl)-3-[4-(2,6-dimethylphenoxy)butyl]-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.160455751 u
Formula C26H25ClN2O2
InChI InChI=1S/C26H25ClN2O2/c1-18-8-7-9-19(2)24(18)31-17-6-5-16-29-25(20-12-14-21(27)15-13-20)28-23-11-4-3-10-22(23)26(29)30/h3-4,7-15H,5-6,16-17H2,1-2H3
InChIKey LLFUMAZSQCYTQR-UHFFFAOYSA-N
Molecular Weight 432.951 g/mol
SMILES C=1C=CC=2C(N(C(=NC2C1)C=1C=CC(=CC1)Cl)CCCCOC=1C(=CC=CC1C)C)=O