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2-(4-chlorophenyl)-3-[5-(4-isopropylphenoxy)pentyl]-4(3H)-quinazolinone

View entire compound with spectra: 2 NMR

2-(4-chlorophenyl)-3-[5-(4-isopropylphenoxy)pentyl]-4(3H)-quinazolinone
SpectraBase Compound ID 97MkgSEAZnb
InChI InChI=1S/C28H29ClN2O2/c1-20(2)21-12-16-24(17-13-21)33-19-7-3-6-18-31-27(22-10-14-23(29)15-11-22)30-26-9-5-4-8-25(26)28(31)32/h4-5,8-17,20H,3,6-7,18-19H2,1-2H3
InChIKey ORBRDFHHUDSGCP-UHFFFAOYSA-N
Mol Weight 461.01 g/mol
Molecular Formula C28H29ClN2O2
Exact Mass 460.191756 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JHyj8MaS8DY
Name 2-(4-Chlorophenyl)-3-[5-(4-isopropylphenoxy)pentyl]-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.191755880 u
Formula C28H29ClN2O2
InChI InChI=1S/C28H29ClN2O2/c1-20(2)21-12-16-24(17-13-21)33-19-7-3-6-18-31-27(22-10-14-23(29)15-11-22)30-26-9-5-4-8-25(26)28(31)32/h4-5,8-17,20H,3,6-7,18-19H2,1-2H3
InChIKey ORBRDFHHUDSGCP-UHFFFAOYSA-N
Molecular Weight 461.005 g/mol
SMILES C=1C=CC=2C(N(C(=NC2C1)C=1C=CC(=CC1)Cl)CCCCCOC1=CC=C(C=C1)C(C)C)=O