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2-(4-bromophenyl)-3-(4-fluorophenyl)-2,3-dihydro-4(1H)-quinazolinone
SpectraBase Compound ID In01FuE1QQ7
InChI InChI=1S/C20H14BrFN2O/c21-14-7-5-13(6-8-14)19-23-18-4-2-1-3-17(18)20(25)24(19)16-11-9-15(22)10-12-16/h1-12,19,23H
InChIKey MHDIDZBAAOKNJJ-UHFFFAOYSA-N
Mol Weight 397.25 g/mol
Molecular Formula C20H14BrFN2O
Exact Mass 396.027354 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LaBl1PirygL
Name 2-(4-Bromophenyl)-3-(4-fluorophenyl)-2,3-dihydro-4(1H)-quinazolinone
Comments Computed using HOSE algorithm
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Exact Mass 396.027354241 u
Formula C20H14BrFN2O
InChI InChI=1S/C20H14BrFN2O/c21-14-7-5-13(6-8-14)19-23-18-4-2-1-3-17(18)20(25)24(19)16-11-9-15(22)10-12-16/h1-12,19,23H
InChIKey MHDIDZBAAOKNJJ-UHFFFAOYSA-N
Molecular Weight 397.247 g/mol
SMILES N1C=2C=CC=CC2C(N(C1C1=CC=C(C=C1)Br)C1=CC=C(C=C1)F)=O