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3-[6-(4-bromo-2,6-dimethylphenoxy)hexyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone

View entire compound with spectra: 2 NMR

3-[6-(4-bromo-2,6-dimethylphenoxy)hexyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone
SpectraBase Compound ID FaAVej76eNl
InChI InChI=1S/C29H31BrN2O3/c1-20-18-23(30)19-21(2)27(20)35-17-9-5-4-8-16-32-28(22-12-14-24(34-3)15-13-22)31-26-11-7-6-10-25(26)29(32)33/h6-7,10-15,18-19H,4-5,8-9,16-17H2,1-3H3
InChIKey IUTKOGZLCJBHQY-UHFFFAOYSA-N
Mol Weight 535.48 g/mol
Molecular Formula C29H31BrN2O3
Exact Mass 534.151806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ClvWRURVuEE
Name 3-[6-(4-Bromo-2,6-dimethylphenoxy)hexyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
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Exact Mass 534.151805863 u
Formula C29H31BrN2O3
InChI InChI=1S/C29H31BrN2O3/c1-20-18-23(30)19-21(2)27(20)35-17-9-5-4-8-16-32-28(22-12-14-24(34-3)15-13-22)31-26-11-7-6-10-25(26)29(32)33/h6-7,10-15,18-19H,4-5,8-9,16-17H2,1-3H3
InChIKey IUTKOGZLCJBHQY-UHFFFAOYSA-N
Molecular Weight 535.482 g/mol
SMILES C=1C=CC=2C(N(C(=NC2C1)C=1C=CC(=CC1)OC)CCCCCCOC1=C(C=C(C=C1C)Br)C)=O