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3-bromo-4-hydroxy-5-methoxybenzaldehyde [1,3-dimethyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone

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3-bromo-4-hydroxy-5-methoxybenzaldehyde [1,3-dimethyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone
SpectraBase Compound ID 96WMpKhshg1
InChI InChI=1S/C23H23BrN6O4/c1-13-5-7-14(8-6-13)12-30-18-20(28(2)23(33)29(3)21(18)32)26-22(30)27-25-11-15-9-16(24)19(31)17(10-15)34-4/h5-11,31H,12H2,1-4H3,(H,26,27)/b25-11+
InChIKey OCMMZNUXEXNDHT-OPEKNORGSA-N
Mol Weight 527.38 g/mol
Molecular Formula C23H23BrN6O4
Exact Mass 526.096416 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID XjzARytIin
Name 3-Bromo-4-hydroxy-5-methoxybenzaldehyde [1,3-dimethyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 526.096416241 u
Formula C23H23BrN6O4
InChI InChI=1S/C23H23BrN6O4/c1-13-5-7-14(8-6-13)12-30-18-20(28(2)23(33)29(3)21(18)32)26-22(30)27-25-11-15-9-16(24)19(31)17(10-15)34-4/h5-11,31H,12H2,1-4H3,(H,26,27)/b25-11+
InChIKey OCMMZNUXEXNDHT-OPEKNORGSA-N
Molecular Weight 527.379 g/mol
SMILES N(C1=NC2=C(N1CC1=CC=C(C=C1)C)C(=O)N(C(N2C)=O)C)\N=C\C=1C=C(C(=C(C1)Br)O)OC