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4-hydroxybenzaldehyde [1,3-dimethyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone
SpectraBase Compound ID 67YtzPCSn49
InChI InChI=1S/C22H22N6O3/c1-14-4-6-16(7-5-14)13-28-18-19(26(2)22(31)27(3)20(18)30)24-21(28)25-23-12-15-8-10-17(29)11-9-15/h4-12,29H,13H2,1-3H3,(H,24,25)/b23-12+
InChIKey OKNBXKMABKLTBR-FSJBWODESA-N
Mol Weight 418.46 g/mol
Molecular Formula C22H22N6O3
Exact Mass 418.175339 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IPPTo9K8dZ6
Name 4-Hydroxybenzaldehyde [1,3-dimethyl-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 418.175338589 u
Formula C22H22N6O3
InChI InChI=1S/C22H22N6O3/c1-14-4-6-16(7-5-14)13-28-18-19(26(2)22(31)27(3)20(18)30)24-21(28)25-23-12-15-8-10-17(29)11-9-15/h4-12,29H,13H2,1-3H3,(H,24,25)/b23-12+
InChIKey OKNBXKMABKLTBR-FSJBWODESA-N
Molecular Weight 418.457 g/mol
SMILES N(C1=NC2=C(N1CC=1C=CC(=CC1)C)C(=O)N(C(N2C)=O)C)\N=C\C=1C=CC(=CC1)O