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4-hydroxybenzaldehyde [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-hydroxybenzaldehyde [3-methyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone
SpectraBase Compound ID LSYu5no4HFp
InChI InChI=1S/C21H20N6O3/c1-13-3-5-15(6-4-13)12-27-17-18(26(2)21(30)24-19(17)29)23-20(27)25-22-11-14-7-9-16(28)10-8-14/h3-11,28H,12H2,1-2H3,(H,23,25)(H,24,29,30)/b22-11+
InChIKey HPFZTPDGRRFPLI-SSDVNMTOSA-N
Mol Weight 404.43 g/mol
Molecular Formula C21H20N6O3
Exact Mass 404.159689 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID vkiBkZzazV
Name 4-Hydroxybenzaldehyde [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 404.159688525 u
Formula C21H20N6O3
InChI InChI=1S/C21H20N6O3/c1-13-3-5-15(6-4-13)12-27-17-18(26(2)21(30)24-19(17)29)23-20(27)25-22-11-14-7-9-16(28)10-8-14/h3-11,28H,12H2,1-2H3,(H,23,25)(H,24,29,30)/b22-11+
InChIKey HPFZTPDGRRFPLI-SSDVNMTOSA-N
Molecular Weight 404.430 g/mol
SMILES N(C=1N(C2=C(N(C(NC2=O)=O)C)N1)CC1=CC=C(C=C1)C)\N=C\C=1C=CC(=CC1)O