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6H-pyrazolo[3,4-b]pyridin-6-one, 4-(2,4-dimethoxyphenyl)-1,4,5,7-tetrahydro-1-(4-methoxyphenyl)-3-phenyl-
SpectraBase Compound ID 1kWTIUtIKc4
InChI InChI=1S/C27H25N3O4/c1-32-19-11-9-18(10-12-19)30-27-25(26(29-30)17-7-5-4-6-8-17)22(16-24(31)28-27)21-14-13-20(33-2)15-23(21)34-3/h4-15,22H,16H2,1-3H3,(H,28,31)
InChIKey IXIIXTNUMIHNPK-UHFFFAOYSA-N
Mol Weight 455.51 g/mol
Molecular Formula C27H25N3O4
Exact Mass 455.184506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AokUTnaXzf6
Name 6H-Pyrazolo[3,4-B]pyridin-6-one, 4-(2,4-dimethoxyphenyl)-1,4,5,7-tetrahydro-1-(4-methoxyphenyl)-3-phenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 455.184506293 u
Formula C27H25N3O4
InChI InChI=1S/C27H25N3O4/c1-32-19-11-9-18(10-12-19)30-27-25(26(29-30)17-7-5-4-6-8-17)22(16-24(31)28-27)21-14-13-20(33-2)15-23(21)34-3/h4-15,22H,16H2,1-3H3,(H,28,31)
InChIKey IXIIXTNUMIHNPK-UHFFFAOYSA-N
Molecular Weight 455.514 g/mol
SMILES N1C(CC(C2=C1N(N=C2C=1C=CC=CC1)C1=CC=C(C=C1)OC)C=1C(=CC(=CC1)OC)OC)=O