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3-[3-(4-tert-butyl-2-methylphenoxy)propyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone

View entire compound with spectra: 2 NMR

3-[3-(4-tert-butyl-2-methylphenoxy)propyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone
SpectraBase Compound ID 96ffJlvj4Zy
InChI InChI=1S/C29H32N2O3/c1-20-19-22(29(2,3)4)13-16-26(20)34-18-8-17-31-27(21-11-14-23(33-5)15-12-21)30-25-10-7-6-9-24(25)28(31)32/h6-7,9-16,19H,8,17-18H2,1-5H3
InChIKey WHUXJIJQIWJIHK-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 KH1n91loXhW
Name 3-[3-(4-Tert-butyl-2-methylphenoxy)propyl]-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/c1-20-19-22(29(2,3)4)13-16-26(20)34-18-8-17-31-27(21-11-14-23(33-5)15-12-21)30-25-10-7-6-9-24(25)28(31)32/h6-7,9-16,19H,8,17-18H2,1-5H3
InChIKey WHUXJIJQIWJIHK-UHFFFAOYSA-N
Molecular Weight 456.586 g/mol
SMILES C=1C=CC=2C(N(C(=NC2C1)C1=CC=C(C=C1)OC)CCCOC=1C(=CC(=CC1)C(C)(C)C)C)=O