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4-CHLORO-1,3-DIMETHYL-alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-1H-PYRAZOLO[3,4-b]PYRIDINE-5-CARBOXY-3',5'-XYLIDIDE

View entire compound with spectra: 2 NMR, and 1 FTIR

4-CHLORO-1,3-DIMETHYL-alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-1H-PYRAZOLO[3,4-b]PYRIDINE-5-CARBOXY-3',5'-XYLIDIDE
SpectraBase Compound ID GTKzOVSHQrE
InChI InChI=1S/C17H11ClF6N4O/c1-7-12-13(18)11(6-25-14(12)28(2)27-7)15(29)26-10-4-8(16(19,20)21)3-9(5-10)17(22,23)24/h3-6H,1-2H3,(H,26,29)
InChIKey UMSBRVHLJXRGQI-UHFFFAOYSA-N
Mol Weight 436.75 g/mol
Molecular Formula C17H11ClF6N4O
Exact Mass 436.052558 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HcldMXfQT2p
Name 4-CHLORO-1,3-DIMETHYL-alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-1H-PYRAZOLO[3,4-b]PYRIDINE-5-CARBOXY-3',5'-XYLIDIDE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11ClF6N4O
InChI InChI=1S/C17H11ClF6N4O/c1-7-12-13(18)11(6-25-14(12)28(2)27-7)15(29)26-10-4-8(16(19,20)21)3-9(5-10)17(22,23)24/h3-6H,1-2H3,(H,26,29)
InChIKey UMSBRVHLJXRGQI-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 248-251C
Molecular Weight 436.75
Solvent DMSO-d6; Reference=TMS; Temperature 297K