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4-hydroxybenzaldehyde [1,3-dimethyl-7-(1-naphthylmethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone
SpectraBase Compound ID 5RBXGikeKDv
InChI InChI=1S/C25H22N6O3/c1-29-22-21(23(33)30(2)25(29)34)31(15-18-8-5-7-17-6-3-4-9-20(17)18)24(27-22)28-26-14-16-10-12-19(32)13-11-16/h3-14,32H,15H2,1-2H3,(H,27,28)/b26-14+
InChIKey GDNMHJLFSDFWEP-VULFUBBASA-N
Mol Weight 454.49 g/mol
Molecular Formula C25H22N6O3
Exact Mass 454.175339 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LqzyQH3PmTJ
Name 4-Hydroxybenzaldehyde [1,3-dimethyl-7-(1-naphthylmethyl)-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 454.175338589 u
Formula C25H22N6O3
InChI InChI=1S/C25H22N6O3/c1-29-22-21(23(33)30(2)25(29)34)31(15-18-8-5-7-17-6-3-4-9-20(17)18)24(27-22)28-26-14-16-10-12-19(32)13-11-16/h3-14,32H,15H2,1-2H3,(H,27,28)/b26-14+
InChIKey GDNMHJLFSDFWEP-VULFUBBASA-N
Molecular Weight 454.490 g/mol
SMILES N(C1=NC2=C(N1CC=1C=3C(=CC=CC3)C=CC1)C(=O)N(C(N2C)=O)C)\N=C\C1=CC=C(C=C1)O