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

View entire compound with spectra: 2 NMR

3-[4-(5-isopropyl-2-methylphenoxy)butyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone
SpectraBase Compound ID AxIxZEHNRdE
InChI InChI=1S/C29H32N2O3/c1-20(2)23-12-11-21(3)27(19-23)34-18-8-7-17-31-28(22-13-15-24(33-4)16-14-22)30-26-10-6-5-9-25(26)29(31)32/h5-6,9-16,19-20H,7-8,17-18H2,1-4H3
InChIKey SQUJOQLHXZFIRM-UHFFFAOYSA-N
Mol Weight 456.6 g/mol
Molecular Formula C29H32N2O3
Exact Mass 456.241293 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2sDdQsOeZ0E
Name 3-[4-(5-Isopropyl-2-methylphenoxy)butyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
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Exact Mass 456.241292895 u
Formula C29H32N2O3
InChI InChI=1S/C29H32N2O3/c1-20(2)23-12-11-21(3)27(19-23)34-18-8-7-17-31-28(22-13-15-24(33-4)16-14-22)30-26-10-6-5-9-25(26)29(31)32/h5-6,9-16,19-20H,7-8,17-18H2,1-4H3
InChIKey SQUJOQLHXZFIRM-UHFFFAOYSA-N
Molecular Weight 456.586 g/mol
SMILES C=1C=CC=2C(N(C(=NC2C1)C=1C=CC(=CC1)OC)CCCCOC=1C=C(C(C)C)C=CC1C)=O