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benzaldehyde {1,3-dimethyl-2,6-dioxo-7-[(2E)-3-phenyl-2-propenyl]-2,3,6,7-tetrahydro-1H-purin-8-yl}hydrazone
SpectraBase Compound ID EnzIPhETdqW
InChI InChI=1S/C23H22N6O2/c1-27-20-19(21(30)28(2)23(27)31)29(15-9-14-17-10-5-3-6-11-17)22(25-20)26-24-16-18-12-7-4-8-13-18/h3-14,16H,15H2,1-2H3,(H,25,26)/b14-9+,24-16+
InChIKey BHVCAUHAJOBASN-UBXJNSBZSA-N
Mol Weight 414.47 g/mol
Molecular Formula C23H22N6O2
Exact Mass 414.180424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L0egch6kGOk
Name Benzaldehyde {1,3-dimethyl-2,6-dioxo-7-[(2E)-3-phenyl-2-propenyl]-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 414.180423970 u
Formula C23H22N6O2
InChI InChI=1S/C23H22N6O2/c1-27-20-19(21(30)28(2)23(27)31)29(15-9-14-17-10-5-3-6-11-17)22(25-20)26-24-16-18-12-7-4-8-13-18/h3-14,16H,15H2,1-2H3,(H,25,26)/b14-9+,24-16+
InChIKey BHVCAUHAJOBASN-UBXJNSBZSA-N
Molecular Weight 414.469 g/mol
SMILES N(C1=NC2=C(C(=O)N(C(N2C)=O)C)N1C\C=C\C=1C=CC=CC1)\N=C\C1=CC=CC=C1