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

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2-(4-methoxyphenyl)-3-[3-(4-tert-pentylphenoxy)propyl]-4(3H)-quinazolinone
SpectraBase Compound ID El3LjcJsyL5
InChI InChI=1S/C29H32N2O3/c1-5-29(2,3)22-13-17-24(18-14-22)34-20-8-19-31-27(21-11-15-23(33-4)16-12-21)30-26-10-7-6-9-25(26)28(31)32/h6-7,9-18H,5,8,19-20H2,1-4H3
InChIKey CXOZMTZEPZEZNM-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 CQnRfXKML16
Name 2-(4-Methoxyphenyl)-3-[3-(4-tert-pentylphenoxy)propyl]-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.241292895 u
Formula C29H32N2O3
InChI InChI=1S/C29H32N2O3/c1-5-29(2,3)22-13-17-24(18-14-22)34-20-8-19-31-27(21-11-15-23(33-4)16-12-21)30-26-10-7-6-9-25(26)28(31)32/h6-7,9-18H,5,8,19-20H2,1-4H3
InChIKey CXOZMTZEPZEZNM-UHFFFAOYSA-N
Molecular Weight 456.586 g/mol
SMILES C=1C=CC=2C(N(C(=NC2C1)C=1C=CC(=CC1)OC)CCCOC1=CC=C(C(CC)(C)C)C=C1)=O