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6H-pyrazolo[3,4-b]pyridin-6-one, 4-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,7-tetrahydro-1-(4-methoxyphenyl)-3-methyl-

View entire compound with spectra: 2 NMR

6H-pyrazolo[3,4-b]pyridin-6-one, 4-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,7-tetrahydro-1-(4-methoxyphenyl)-3-methyl-
SpectraBase Compound ID AkdAExylr4I
InChI InChI=1S/C28H26FN3O4/c1-17-26-22(15-25(33)30-28(26)32(31-17)19-11-13-20(34-2)14-12-19)21-8-6-10-24(35-3)27(21)36-16-18-7-4-5-9-23(18)29/h4-14,22H,15-16H2,1-3H3,(H,30,33)
InChIKey WXAOMKJCTOCHKR-UHFFFAOYSA-N
Mol Weight 487.53 g/mol
Molecular Formula C28H26FN3O4
Exact Mass 487.190734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3BnSHxLwBJ9
Name 6H-Pyrazolo[3,4-B]pyridin-6-one, 4-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,7-tetrahydro-1-(4-methoxyphenyl)-3-methyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 487.190734488 u
Formula C28H26FN3O4
InChI InChI=1S/C28H26FN3O4/c1-17-26-22(15-25(33)30-28(26)32(31-17)19-11-13-20(34-2)14-12-19)21-8-6-10-24(35-3)27(21)36-16-18-7-4-5-9-23(18)29/h4-14,22H,15-16H2,1-3H3,(H,30,33)
InChIKey WXAOMKJCTOCHKR-UHFFFAOYSA-N
Molecular Weight 487.531 g/mol
SMILES N1C(CC(C2=C1N(N=C2C)C=1C=CC(=CC1)OC)C1=C(OCC=2C(F)=CC=CC2)C(OC)=CC=C1)=O