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

View entire compound with spectra: 2 NMR

3-[4-(4-tert-butyl-2-methylphenoxy)butyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone
SpectraBase Compound ID 1XfnB0S6AFH
InChI InChI=1S/C30H34N2O3/c1-21-20-23(30(2,3)4)14-17-27(21)35-19-9-8-18-32-28(22-12-15-24(34-5)16-13-22)31-26-11-7-6-10-25(26)29(32)33/h6-7,10-17,20H,8-9,18-19H2,1-5H3
InChIKey CXIVLVBLYVUCMM-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 D8pkflkQIb7
Name 3-[4-(4-Tert-butyl-2-methylphenoxy)butyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 470.256942960 u
Formula C30H34N2O3
InChI InChI=1S/C30H34N2O3/c1-21-20-23(30(2,3)4)14-17-27(21)35-19-9-8-18-32-28(22-12-15-24(34-5)16-13-22)31-26-11-7-6-10-25(26)29(32)33/h6-7,10-17,20H,8-9,18-19H2,1-5H3
InChIKey CXIVLVBLYVUCMM-UHFFFAOYSA-N
Molecular Weight 470.613 g/mol
SMILES C=1C=CC=2C(N(C(=NC2C1)C=1C=CC(=CC1)OC)CCCCOC=1C(=CC(=CC1)C(C)(C)C)C)=O