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3-[6-(4-bromophenoxy)hexyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone

View entire compound with spectra: 2 NMR

3-[6-(4-bromophenoxy)hexyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone
SpectraBase Compound ID E9CtLR8ELa
InChI InChI=1S/C27H27BrN2O3/c1-32-22-14-10-20(11-15-22)26-29-25-9-5-4-8-24(25)27(31)30(26)18-6-2-3-7-19-33-23-16-12-21(28)13-17-23/h4-5,8-17H,2-3,6-7,18-19H2,1H3
InChIKey SHZIETVAMKCCAN-UHFFFAOYSA-N
Mol Weight 507.43 g/mol
Molecular Formula C27H27BrN2O3
Exact Mass 506.120506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7G3L2gMgH0k
Name 3-[6-(4-Bromophenoxy)hexyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
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Exact Mass 506.120505734 u
Formula C27H27BrN2O3
InChI InChI=1S/C27H27BrN2O3/c1-32-22-14-10-20(11-15-22)26-29-25-9-5-4-8-24(25)27(31)30(26)18-6-2-3-7-19-33-23-16-12-21(28)13-17-23/h4-5,8-17H,2-3,6-7,18-19H2,1H3
InChIKey SHZIETVAMKCCAN-UHFFFAOYSA-N
Molecular Weight 507.428 g/mol
SMILES C=1C=CC=2C(N(C(=NC2C1)C=1C=CC(=CC1)OC)CCCCCCOC1=CC=C(C=C1)Br)=O