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3-[5-(2-bromo-4,6-dimethylphenoxy)pentyl]-2-(4-chlorophenyl)-4(3H)-quinazolinone

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3-[5-(2-bromo-4,6-dimethylphenoxy)pentyl]-2-(4-chlorophenyl)-4(3H)-quinazolinone
SpectraBase Compound ID AsFTFHccgaB
InChI InChI=1S/C27H26BrClN2O2/c1-18-16-19(2)25(23(28)17-18)33-15-7-3-6-14-31-26(20-10-12-21(29)13-11-20)30-24-9-5-4-8-22(24)27(31)32/h4-5,8-13,16-17H,3,6-7,14-15H2,1-2H3
InChIKey QIHSXROHMAVRTK-UHFFFAOYSA-N
Mol Weight 525.87 g/mol
Molecular Formula C27H26BrClN2O2
Exact Mass 524.086619 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ATm5AIlIUWx
Name 3-[5-(2-Bromo-4,6-dimethylphenoxy)pentyl]-2-(4-chlorophenyl)-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
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Exact Mass 524.086618783 u
Formula C27H26BrClN2O2
InChI InChI=1S/C27H26BrClN2O2/c1-18-16-19(2)25(23(28)17-18)33-15-7-3-6-14-31-26(20-10-12-21(29)13-11-20)30-24-9-5-4-8-22(24)27(31)32/h4-5,8-13,16-17H,3,6-7,14-15H2,1-2H3
InChIKey QIHSXROHMAVRTK-UHFFFAOYSA-N
Molecular Weight 525.874 g/mol
SMILES C=1C=CC=2C(N(C(=NC2C1)C=1C=CC(=CC1)Cl)CCCCCOC1=C(C=C(C=C1C)C)Br)=O