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

View entire compound with spectra: 2 NMR

3-[5-(4-tert-butylphenoxy)pentyl]-2-(4-chlorophenyl)-4(3H)-quinazolinone
SpectraBase Compound ID DWBJOQ2Qova
InChI InChI=1S/C29H31ClN2O2/c1-29(2,3)22-13-17-24(18-14-22)34-20-8-4-7-19-32-27(21-11-15-23(30)16-12-21)31-26-10-6-5-9-25(26)28(32)33/h5-6,9-18H,4,7-8,19-20H2,1-3H3
InChIKey JBKSATNWUSGHAL-UHFFFAOYSA-N
Mol Weight 475.03 g/mol
Molecular Formula C29H31ClN2O2
Exact Mass 474.207406 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JCjbiDTYv8G
Name 3-[5-(4-Tert-butylphenoxy)pentyl]-2-(4-chlorophenyl)-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
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Exact Mass 474.207405944 u
Formula C29H31ClN2O2
InChI InChI=1S/C29H31ClN2O2/c1-29(2,3)22-13-17-24(18-14-22)34-20-8-4-7-19-32-27(21-11-15-23(30)16-12-21)31-26-10-6-5-9-25(26)28(32)33/h5-6,9-18H,4,7-8,19-20H2,1-3H3
InChIKey JBKSATNWUSGHAL-UHFFFAOYSA-N
Molecular Weight 475.032 g/mol
SMILES C=1C=CC=2C(N(C(=NC2C1)C=1C=CC(=CC1)Cl)CCCCCOC1=CC=C(C(C)(C)C)C=C1)=O