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3-[6-(4-isopropylphenoxy)hexyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone

View entire compound with spectra: 2 NMR

3-[6-(4-isopropylphenoxy)hexyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone
SpectraBase Compound ID A5yHSCFvOD4
InChI InChI=1S/C30H34N2O3/c1-22(2)23-12-18-26(19-13-23)35-21-9-5-4-8-20-32-29(24-14-16-25(34-3)17-15-24)31-28-11-7-6-10-27(28)30(32)33/h6-7,10-19,22H,4-5,8-9,20-21H2,1-3H3
InChIKey YQTVJGYMRLYDGK-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 JT6VpEjZf3v
Name 3-[6-(4-Isopropylphenoxy)hexyl]-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/c1-22(2)23-12-18-26(19-13-23)35-21-9-5-4-8-20-32-29(24-14-16-25(34-3)17-15-24)31-28-11-7-6-10-27(28)30(32)33/h6-7,10-19,22H,4-5,8-9,20-21H2,1-3H3
InChIKey YQTVJGYMRLYDGK-UHFFFAOYSA-N
Molecular Weight 470.613 g/mol
SMILES C=1C=CC=2C(N(C(=NC2C1)C=1C=CC(=CC1)OC)CCCCCCOC1=CC=C(C=C1)C(C)C)=O