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4-bromobenzaldehyde [1,3-dimethyl-7-(1-naphthylmethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone
SpectraBase Compound ID 6z2Qh7j3SYb
InChI InChI=1S/C25H21BrN6O2/c1-30-22-21(23(33)31(2)25(30)34)32(15-18-8-5-7-17-6-3-4-9-20(17)18)24(28-22)29-27-14-16-10-12-19(26)13-11-16/h3-14H,15H2,1-2H3,(H,28,29)/b27-14+
InChIKey AHDHCZUHBPCUBY-MZJWZYIUSA-N
Mol Weight 517.39 g/mol
Molecular Formula C25H21BrN6O2
Exact Mass 516.090937 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EFAdxArcGOP
Name 4-Bromobenzaldehyde [1,3-dimethyl-7-(1-naphthylmethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone
Comments Computed using HOSE algorithm
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Exact Mass 516.090936938 u
Formula C25H21BrN6O2
InChI InChI=1S/C25H21BrN6O2/c1-30-22-21(23(33)31(2)25(30)34)32(15-18-8-5-7-17-6-3-4-9-20(17)18)24(28-22)29-27-14-16-10-12-19(26)13-11-16/h3-14H,15H2,1-2H3,(H,28,29)/b27-14+
InChIKey AHDHCZUHBPCUBY-MZJWZYIUSA-N
Molecular Weight 517.387 g/mol
SMILES N(C1=NC2=C(N1CC=1C=3C(=CC=CC3)C=CC1)C(=O)N(C(N2C)=O)C)\N=C\C1=CC=C(C=C1)Br