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4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbothioic acid, S-(m-chlorophenyl)ester

View entire compound with spectra: 3 NMR, and 1 FTIR

4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbothioic acid, S-(m-chlorophenyl)ester
SpectraBase Compound ID FJustrkaLSX
InChI InChI=1S/C15H11Cl2N3OS/c1-8-12-13(17)11(7-18-14(12)20(2)19-8)15(21)22-10-5-3-4-9(16)6-10/h3-7H,1-2H3
InChIKey DOYPBECCGSBUOZ-UHFFFAOYSA-N
Mol Weight 352.24 g/mol
Molecular Formula C15H11Cl2N3OS
Exact Mass 350.999989 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID eflTxKORUe
Name 4-CHLORO-1,3-DIMETHYL-1H-PYRAZOLO[3,4-b]PYRIDINE-5-CARBOTHIOICACID, S-(m-CHLOROPHENYL) ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11Cl2N3OS
InChI InChI=1S/C15H11Cl2N3OS/c1-8-12-13(17)11(7-18-14(12)20(2)19-8)15(21)22-10-5-3-4-9(16)6-10/h3-7H,1-2H3
InChIKey DOYPBECCGSBUOZ-UHFFFAOYSA-N
Melting Point 135-137.5C
Molecular Weight 352.24
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 1H-PYRAZOLO[3,4-b]PYRIDINE-5-CARBOTHIOIC ACID, 4-CHLORO-1,3-DIMETHYL-, S-(m-CHLOROPHENYL) ESTER