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6H-pyrazolo[3,4-b]pyridin-6-one, 1-(4-fluorophenyl)-1,4,5,7-tetrahydro-4-(3-hydroxyphenyl)-3-phenyl-
SpectraBase Compound ID GlIT977J6JT
InChI InChI=1S/C24H18FN3O2/c25-17-9-11-18(12-10-17)28-24-22(23(27-28)15-5-2-1-3-6-15)20(14-21(30)26-24)16-7-4-8-19(29)13-16/h1-13,20,29H,14H2,(H,26,30)
InChIKey IXKUPWWTOMNQHT-UHFFFAOYSA-N
Mol Weight 399.43 g/mol
Molecular Formula C24H18FN3O2
Exact Mass 399.138305 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BjxYw4rBen9
Name 6H-Pyrazolo[3,4-B]pyridin-6-one, 1-(4-fluorophenyl)-1,4,5,7-tetrahydro-4-(3-hydroxyphenyl)-3-phenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.138304993 u
Formula C24H18FN3O2
InChI InChI=1S/C24H18FN3O2/c25-17-9-11-18(12-10-17)28-24-22(23(27-28)15-5-2-1-3-6-15)20(14-21(30)26-24)16-7-4-8-19(29)13-16/h1-13,20,29H,14H2,(H,26,30)
InChIKey IXKUPWWTOMNQHT-UHFFFAOYSA-N
Molecular Weight 399.425 g/mol
SMILES N1C(CC(C2=CC(=CC=C2)O)C2=C1N(C=1C=CC(=CC1)F)N=C2C=1C=CC=CC1)=O