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4-(2-Phenyl-6,8-dibromo-4-oxo-(4H)quinazolin-3-yl)benzoicacid (4-methylphenylmeth(E)ylidene)hydrazide
SpectraBase Compound ID LLWcZT60bTc
InChI InChI=1S/C29H20Br2N4O2/c1-18-7-9-19(10-8-18)17-32-34-28(36)21-11-13-23(14-12-21)35-27(20-5-3-2-4-6-20)33-26-24(29(35)37)15-22(30)16-25(26)31/h2-17H,1H3,(H,34,36)/b32-17+
InChIKey JHEVHXUMTZVDOH-VTNSRFBWSA-N
Mol Weight 616.31 g/mol
Molecular Formula C29H20Br2N4O2
Exact Mass 613.995302 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 594gu38z6rc
Name 4-(2-Phenyl-6,8-dibromo-4-oxo-(4H)quinazolin-3-yl)benzoicacid (4-methylphenylmeth(E)ylidene)hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 613.995301898 u
Formula C29H20Br2N4O2
InChI InChI=1S/C29H20Br2N4O2/c1-18-7-9-19(10-8-18)17-32-34-28(36)21-11-13-23(14-12-21)35-27(20-5-3-2-4-6-20)33-26-24(29(35)37)15-22(30)16-25(26)31/h2-17H,1H3,(H,34,36)/b32-17+
InChIKey JHEVHXUMTZVDOH-VTNSRFBWSA-N
Molecular Weight 616.313 g/mol
SMILES C1(N(C(=NC=2C(=CC(=CC12)Br)Br)C=1C=CC=CC1)C1=CC=C(C(N\N=C\C=2C=CC(=CC2)C)=O)C=C1)=O