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4-(benzyloxy)benzaldehyde [3-methyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone
SpectraBase Compound ID H3WnmJev6I2
InChI InChI=1S/C28H26N6O3/c1-19-8-10-21(11-9-19)17-34-24-25(33(2)28(36)31-26(24)35)30-27(34)32-29-16-20-12-14-23(15-13-20)37-18-22-6-4-3-5-7-22/h3-16H,17-18H2,1-2H3,(H,30,32)(H,31,35,36)/b29-16+
InChIKey AYUZQBRQEHIJTG-MUFRIFMGSA-N
Mol Weight 494.56 g/mol
Molecular Formula C28H26N6O3
Exact Mass 494.206639 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5THVkx2FjiC
Name 4-(Benzyloxy)benzaldehyde [3-methyl-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 494.206638718 u
Formula C28H26N6O3
InChI InChI=1S/C28H26N6O3/c1-19-8-10-21(11-9-19)17-34-24-25(33(2)28(36)31-26(24)35)30-27(34)32-29-16-20-12-14-23(15-13-20)37-18-22-6-4-3-5-7-22/h3-16H,17-18H2,1-2H3,(H,30,32)(H,31,35,36)/b29-16+
InChIKey AYUZQBRQEHIJTG-MUFRIFMGSA-N
Molecular Weight 494.555 g/mol
SMILES N(C=1N(C2=C(N(C(NC2=O)=O)C)N1)CC1=CC=C(C=C1)C)\N=C\C1=CC=C(OCC2=CC=CC=C2)C=C1