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2-(Diphenylmethyl)-3-(p-bromophenyl)-6-bromoquinazolin-4-one
SpectraBase Compound ID GOHPHlOYe7Y
InChI InChI=1S/C27H18Br2N2O/c28-20-11-14-22(15-12-20)31-26(30-24-16-13-21(29)17-23(24)27(31)32)25(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-17,25H
InChIKey MTGKXCQQIWQATN-UHFFFAOYSA-N
Mol Weight 546.26 g/mol
Molecular Formula C27H18Br2N2O
Exact Mass 543.978589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID PApLT8r60F
Name 2-(Diphenylmethyl)-3-(p-bromophenyl)-6-bromoquinazolin-4-one
Comments Computed using HOSE algorithm
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Exact Mass 543.978589207 u
Formula C27H18Br2N2O
InChI InChI=1S/C27H18Br2N2O/c28-20-11-14-22(15-12-20)31-26(30-24-16-13-21(29)17-23(24)27(31)32)25(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-17,25H
InChIKey MTGKXCQQIWQATN-UHFFFAOYSA-N
Molecular Weight 546.262 g/mol
SMILES C=1(N(C(C2=C(N1)C=CC(=C2)Br)=O)C1=CC=C(C=C1)Br)C(C1=CC=CC=C1)C=1C=CC=CC1