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4-(benzyloxy)benzaldehyde [1,3-dimethyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone
SpectraBase Compound ID CEZXGR4689L
InChI InChI=1S/C29H28N6O3/c1-20-9-11-22(12-10-20)18-35-25-26(33(2)29(37)34(3)27(25)36)31-28(35)32-30-17-21-13-15-24(16-14-21)38-19-23-7-5-4-6-8-23/h4-17H,18-19H2,1-3H3,(H,31,32)/b30-17+
InChIKey ZNCLMOMYPQNVEJ-OCSSWDANSA-N
Mol Weight 508.58 g/mol
Molecular Formula C29H28N6O3
Exact Mass 508.222289 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 43VW9H38Gq9
Name 4-(Benzyloxy)benzaldehyde [1,3-dimethyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone
Comments Computed using HOSE algorithm
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Exact Mass 508.222288783 u
Formula C29H28N6O3
InChI InChI=1S/C29H28N6O3/c1-20-9-11-22(12-10-20)18-35-25-26(33(2)29(37)34(3)27(25)36)31-28(35)32-30-17-21-13-15-24(16-14-21)38-19-23-7-5-4-6-8-23/h4-17H,18-19H2,1-3H3,(H,31,32)/b30-17+
InChIKey ZNCLMOMYPQNVEJ-OCSSWDANSA-N
Molecular Weight 508.582 g/mol
SMILES N(C1=NC2=C(N1CC=1C=CC(=CC1)C)C(=O)N(C(N2C)=O)C)\N=C\C1=CC=C(OCC2=CC=CC=C2)C=C1