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6H-pyrazolo[3,4-b]pyridin-6-one, 1,4,5,7-tetrahydro-1-(4-methoxyphenyl)-3-methyl-4-(3-thienyl)-
SpectraBase Compound ID 8cgEJJ40Kwl
InChI InChI=1S/C18H17N3O2S/c1-11-17-15(12-7-8-24-10-12)9-16(22)19-18(17)21(20-11)13-3-5-14(23-2)6-4-13/h3-8,10,15H,9H2,1-2H3,(H,19,22)
InChIKey UITQVAQHNBKARZ-UHFFFAOYSA-N
Mol Weight 339.41 g/mol
Molecular Formula C18H17N3O2S
Exact Mass 339.104148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FxQblwwj9xF
Name 6H-Pyrazolo[3,4-B]pyridin-6-one, 1,4,5,7-tetrahydro-1-(4-methoxyphenyl)-3-methyl-4-(3-thienyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 339.104147971 u
Formula C18H17N3O2S
InChI InChI=1S/C18H17N3O2S/c1-11-17-15(12-7-8-24-10-12)9-16(22)19-18(17)21(20-11)13-3-5-14(23-2)6-4-13/h3-8,10,15H,9H2,1-2H3,(H,19,22)
InChIKey UITQVAQHNBKARZ-UHFFFAOYSA-N
Molecular Weight 339.413 g/mol
SMILES N1C(CC(C2=C1N(N=C2C)C=1C=CC(=CC1)OC)C1=CSC=C1)=O