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6H-pyrazolo[3,4-b]pyridin-6-one, 1-(3-fluorophenyl)-1,4,5,7-tetrahydro-3-methyl-4-[2-(2-propenyloxy)phenyl]-
SpectraBase Compound ID IHU46X5EzXn
InChI InChI=1S/C22H20FN3O2/c1-3-11-28-19-10-5-4-9-17(19)18-13-20(27)24-22-21(18)14(2)25-26(22)16-8-6-7-15(23)12-16/h3-10,12,18H,1,11,13H2,2H3,(H,24,27)
InChIKey UUIOLIZUXWVCRM-UHFFFAOYSA-N
Mol Weight 377.42 g/mol
Molecular Formula C22H20FN3O2
Exact Mass 377.153955 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 861tXfhdjPR
Name 6H-Pyrazolo[3,4-B]pyridin-6-one, 1-(3-fluorophenyl)-1,4,5,7-tetrahydro-3-methyl-4-[2-(2-propenyloxy)phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 377.153955057 u
Formula C22H20FN3O2
InChI InChI=1S/C22H20FN3O2/c1-3-11-28-19-10-5-4-9-17(19)18-13-20(27)24-22-21(18)14(2)25-26(22)16-8-6-7-15(23)12-16/h3-10,12,18H,1,11,13H2,2H3,(H,24,27)
InChIKey UUIOLIZUXWVCRM-UHFFFAOYSA-N
Molecular Weight 377.419 g/mol
SMILES N1C(CC(C2=C1N(N=C2C)C=1C=C(F)C=CC1)C1=C(OCC=C)C=CC=C1)=O