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1-butyl-N-(3-chloro-4-fluorophenyl)-6-cyclopropyl-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
SpectraBase Compound ID BG9T5kT7KC
InChI InChI=1S/C21H22ClFN4O/c1-3-4-9-27-20-19(12(2)26-27)15(11-18(25-20)13-5-6-13)21(28)24-14-7-8-17(23)16(22)10-14/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,24,28)
InChIKey QUFTYCFDZKYWFS-UHFFFAOYSA-N
Mol Weight 400.89 g/mol
Molecular Formula C21H22ClFN4O
Exact Mass 400.146617 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1lWdlzcyHf6
Name 1-butyl-N-(3-chloro-4-fluorophenyl)-6-cyclopropyl-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H22ClFN4O/c1-3-4-9-27-20-19(12(2)26-27)15(11-18(25-20)13-5-6-13)21(28)24-14-7-8-17(23)16(22)10-14/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,24,28)
InChIKey QUFTYCFDZKYWFS-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_33162
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 1912130; SBI_ID: SBI-033166
Temperature 318 °C