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4-bromobenzaldehyde [3-methyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone

View entire compound with spectra: 2 NMR

4-bromobenzaldehyde [3-methyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone
SpectraBase Compound ID iW4U9ZEd3h
InChI InChI=1S/C21H19BrN6O2/c1-13-3-5-15(6-4-13)12-28-17-18(27(2)21(30)25-19(17)29)24-20(28)26-23-11-14-7-9-16(22)10-8-14/h3-11H,12H2,1-2H3,(H,24,26)(H,25,29,30)/b23-11+
InChIKey ZHDARXLXCBITHE-FOKLQQMPSA-N
Mol Weight 467.33 g/mol
Molecular Formula C21H19BrN6O2
Exact Mass 466.075287 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8DcsB3yFPcL
Name 4-Bromobenzaldehyde [3-methyl-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 466.075286874 u
Formula C21H19BrN6O2
InChI InChI=1S/C21H19BrN6O2/c1-13-3-5-15(6-4-13)12-28-17-18(27(2)21(30)25-19(17)29)24-20(28)26-23-11-14-7-9-16(22)10-8-14/h3-11H,12H2,1-2H3,(H,24,26)(H,25,29,30)/b23-11+
InChIKey ZHDARXLXCBITHE-FOKLQQMPSA-N
Molecular Weight 467.327 g/mol
SMILES N(C=1N(C2=C(N(C(NC2=O)=O)C)N1)CC=1C=CC(=CC1)C)\N=C\C=1C=CC(=CC1)Br