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1-(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-3-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)urea

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1-(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-3-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)urea
SpectraBase Compound ID KI2wYjUK6GJ
InChI InChI=1S/C17H12ClF6N5O/c1-7-12-13(18)11(6-25-14(12)29(2)28-7)27-15(30)26-10-4-8(16(19,20)21)3-9(5-10)17(22,23)24/h3-6H,1-2H3,(H2,26,27,30)
InChIKey MDTOUUSBCGZUCL-UHFFFAOYSA-N
Mol Weight 451.76 g/mol
Molecular Formula C17H12ClF6N5O
Exact Mass 451.063457 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8sxdkjKPEE8
Name 1-(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-3-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)urea
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12ClF6N5O
InChI InChI=1S/C17H12ClF6N5O/c1-7-12-13(18)11(6-25-14(12)29(2)28-7)27-15(30)26-10-4-8(16(19,20)21)3-9(5-10)17(22,23)24/h3-6H,1-2H3,(H2,26,27,30)
InChIKey MDTOUUSBCGZUCL-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 58625M
Solvent Polysol