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3-[5-(2,6-diisopropylphenoxy)pentyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone

View entire compound with spectra: 2 NMR

3-[5-(2,6-diisopropylphenoxy)pentyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone
SpectraBase Compound ID LWedRnKeALr
InChI InChI=1S/C32H38N2O3/c1-22(2)26-13-11-14-27(23(3)4)30(26)37-21-10-6-9-20-34-31(24-16-18-25(36-5)19-17-24)33-29-15-8-7-12-28(29)32(34)35/h7-8,11-19,22-23H,6,9-10,20-21H2,1-5H3
InChIKey WBNIGBWFCDNDPW-UHFFFAOYSA-N
Mol Weight 498.7 g/mol
Molecular Formula C32H38N2O3
Exact Mass 498.288243 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9H4hf1C6wgO
Name 3-[5-(2,6-Diisopropylphenoxy)pentyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 498.288243089 u
Formula C32H38N2O3
InChI InChI=1S/C32H38N2O3/c1-22(2)26-13-11-14-27(23(3)4)30(26)37-21-10-6-9-20-34-31(24-16-18-25(36-5)19-17-24)33-29-15-8-7-12-28(29)32(34)35/h7-8,11-19,22-23H,6,9-10,20-21H2,1-5H3
InChIKey WBNIGBWFCDNDPW-UHFFFAOYSA-N
Molecular Weight 498.667 g/mol
SMILES C=1C=CC=2C(N(C(=NC2C1)C=1C=CC(=CC1)OC)CCCCCOC1=C(C(C)C)C=CC=C1C(C)C)=O