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3-[3-(2,6-diisopropylphenoxy)propyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone

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3-[3-(2,6-diisopropylphenoxy)propyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone
SpectraBase Compound ID IAAGcN4PPZR
InChI InChI=1S/C30H34N2O3/c1-20(2)24-11-8-12-25(21(3)4)28(24)35-19-9-18-32-29(22-14-16-23(34-5)17-15-22)31-27-13-7-6-10-26(27)30(32)33/h6-8,10-17,20-21H,9,18-19H2,1-5H3
InChIKey YLBVZHVSFWUOHA-UHFFFAOYSA-N
Mol Weight 470.6 g/mol
Molecular Formula C30H34N2O3
Exact Mass 470.256943 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AiOuK7KJ3QG
Name 3-[3-(2,6-Diisopropylphenoxy)propyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
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Exact Mass 470.256942960 u
Formula C30H34N2O3
InChI InChI=1S/C30H34N2O3/c1-20(2)24-11-8-12-25(21(3)4)28(24)35-19-9-18-32-29(22-14-16-23(34-5)17-15-22)31-27-13-7-6-10-26(27)30(32)33/h6-8,10-17,20-21H,9,18-19H2,1-5H3
InChIKey YLBVZHVSFWUOHA-UHFFFAOYSA-N
Molecular Weight 470.613 g/mol
SMILES C=1C=CC=2C(N(C(=NC2C1)C=1C=CC(=CC1)OC)CCCOC1=C(C(C)C)C=CC=C1C(C)C)=O