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3-{2-[2-(4-ethoxyphenoxy)ethoxy]ethyl}-2-(4-methoxyphenyl)-4(3H)-quinazolinone

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3-{2-[2-(4-ethoxyphenoxy)ethoxy]ethyl}-2-(4-methoxyphenyl)-4(3H)-quinazolinone
SpectraBase Compound ID CGvATw8MnXu
InChI InChI=1S/C27H28N2O5/c1-3-33-22-12-14-23(15-13-22)34-19-18-32-17-16-29-26(20-8-10-21(31-2)11-9-20)28-25-7-5-4-6-24(25)27(29)30/h4-15H,3,16-19H2,1-2H3
InChIKey NYGJHQSQMSVKIL-UHFFFAOYSA-N
Mol Weight 460.53 g/mol
Molecular Formula C27H28N2O5
Exact Mass 460.199822 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 78IFmk5Vce3
Name 3-{2-[2-(4-Ethoxyphenoxy)ethoxy]ethyl}-2-(4-methoxyphenyl)-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.199822005 u
Formula C27H28N2O5
InChI InChI=1S/C27H28N2O5/c1-3-33-22-12-14-23(15-13-22)34-19-18-32-17-16-29-26(20-8-10-21(31-2)11-9-20)28-25-7-5-4-6-24(25)27(29)30/h4-15H,3,16-19H2,1-2H3
InChIKey NYGJHQSQMSVKIL-UHFFFAOYSA-N
Molecular Weight 460.530 g/mol
SMILES CCOC=1C=CC(OCCOCCN2C(=NC3=C(C2=O)C=CC=C3)C2=CC=C(C=C2)OC)=CC1