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3-({(E)-[4-(benzyloxy)phenyl]methylidene}amino)-7-phenyl-3,7-dihydro-4H-pyrazolo[3,4-d][1,2,3]triazin-4-one

View entire compound with spectra: 2 NMR

3-({(E)-[4-(benzyloxy)phenyl]methylidene}amino)-7-phenyl-3,7-dihydro-4H-pyrazolo[3,4-d][1,2,3]triazin-4-one
SpectraBase Compound ID JufhcuUDHDr
InChI InChI=1S/C24H18N6O2/c31-24-22-16-25-29(20-9-5-2-6-10-20)23(22)27-28-30(24)26-15-18-11-13-21(14-12-18)32-17-19-7-3-1-4-8-19/h1-16H,17H2/b26-15+
InChIKey USMSUKLURIYTJV-CVKSISIWSA-N
Mol Weight 422.45 g/mol
Molecular Formula C24H18N6O2
Exact Mass 422.149124 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID xZXvXpn4L7
Name 3-({(E)-[4-(benzyloxy)phenyl]methylidene}amino)-7-phenyl-3,7-dihydro-4H-pyrazolo[3,4-D][1,2,3]triazin-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.149123842 u
Formula C24H18N6O2
InChI InChI=1S/C24H18N6O2/c31-24-22-16-25-29(20-9-5-2-6-10-20)23(22)27-28-30(24)26-15-18-11-13-21(14-12-18)32-17-19-7-3-1-4-8-19/h1-16H,17H2/b26-15+
InChIKey USMSUKLURIYTJV-CVKSISIWSA-N
Molecular Weight 422.448 g/mol
SMILES C12=C(C(=O)N(N=N2)\N=C\C2=CC=C(OCC3=CC=CC=C3)C=C2)C=NN1C=1C=CC=CC1