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

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4-(benzyloxy)benzaldehyde [7-(2-hydroxyethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone
SpectraBase Compound ID CjjvfsqYxrA
InChI InChI=1S/C22H22N6O4/c1-27-19-18(20(30)25-22(27)31)28(11-12-29)21(24-19)26-23-13-15-7-9-17(10-8-15)32-14-16-5-3-2-4-6-16/h2-10,13,29H,11-12,14H2,1H3,(H,24,26)(H,25,30,31)/b23-13+
InChIKey HTBSRZTXUNYJOU-YDZHTSKRSA-N
Mol Weight 434.46 g/mol
Molecular Formula C22H22N6O4
Exact Mass 434.170253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EohVQC2FRhl
Name 4-(Benzyloxy)benzaldehyde [7-(2-hydroxyethyl)-3-methyl-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 434.170253208 u
Formula C22H22N6O4
InChI InChI=1S/C22H22N6O4/c1-27-19-18(20(30)25-22(27)31)28(11-12-29)21(24-19)26-23-13-15-7-9-17(10-8-15)32-14-16-5-3-2-4-6-16/h2-10,13,29H,11-12,14H2,1H3,(H,24,26)(H,25,30,31)/b23-13+
InChIKey HTBSRZTXUNYJOU-YDZHTSKRSA-N
Molecular Weight 434.456 g/mol
SMILES N(C1=NC2=C(N1CCO)C(=O)NC(N2C)=O)\N=C\C1=CC=C(OCC2=CC=CC=C2)C=C1