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benzaldehyde [1,3-dimethyl-7-(1-naphthylmethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone
SpectraBase Compound ID 8taNMZHNaw7
InChI InChI=1S/C25H22N6O2/c1-29-22-21(23(32)30(2)25(29)33)31(16-19-13-8-12-18-11-6-7-14-20(18)19)24(27-22)28-26-15-17-9-4-3-5-10-17/h3-15H,16H2,1-2H3,(H,27,28)/b26-15+
InChIKey KMEPERAMZALQOS-CVKSISIWSA-N
Mol Weight 438.49 g/mol
Molecular Formula C25H22N6O2
Exact Mass 438.180424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CLZAWAItaQy
Name Benzaldehyde [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 438.180423970 u
Formula C25H22N6O2
InChI InChI=1S/C25H22N6O2/c1-29-22-21(23(32)30(2)25(29)33)31(16-19-13-8-12-18-11-6-7-14-20(18)19)24(27-22)28-26-15-17-9-4-3-5-10-17/h3-15H,16H2,1-2H3,(H,27,28)/b26-15+
InChIKey KMEPERAMZALQOS-CVKSISIWSA-N
Molecular Weight 438.491 g/mol
SMILES N(C1=NC2=C(N1CC=1C=3C(=CC=CC3)C=CC1)C(=O)N(C(N2C)=O)C)\N=C\C=1C=CC=CC1