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6H-pyrazolo[3,4-b]pyridin-6-one, 1-(3-chlorophenyl)-1,4,5,7-tetrahydro-3-methyl-4-(2-thienyl)-
SpectraBase Compound ID 8iGHVq4xCk9
InChI InChI=1S/C17H14ClN3OS/c1-10-16-13(14-6-3-7-23-14)9-15(22)19-17(16)21(20-10)12-5-2-4-11(18)8-12/h2-8,13H,9H2,1H3,(H,19,22)
InChIKey CVJOZCQYOQIZCX-UHFFFAOYSA-N
Mol Weight 343.83 g/mol
Molecular Formula C17H14ClN3OS
Exact Mass 343.054611 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BLtXXdwrdDc
Name 6H-Pyrazolo[3,4-B]pyridin-6-one, 1-(3-chlorophenyl)-1,4,5,7-tetrahydro-3-methyl-4-(2-thienyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 343.054610956 u
Formula C17H14ClN3OS
InChI InChI=1S/C17H14ClN3OS/c1-10-16-13(14-6-3-7-23-14)9-15(22)19-17(16)21(20-10)12-5-2-4-11(18)8-12/h2-8,13H,9H2,1H3,(H,19,22)
InChIKey CVJOZCQYOQIZCX-UHFFFAOYSA-N
Molecular Weight 343.832 g/mol
SMILES N1C(CC(C2=C1N(N=C2C)C=1C=C(Cl)C=CC1)C=1SC=CC1)=O