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benzoic acid, 4-[4-(difluoromethyl)-6-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]-
SpectraBase Compound ID KetIIWTg4JN
InChI InChI=1S/C21H19F2N5O2/c1-4-27-12(3)16(10-24-27)17-9-15(19(22)23)18-11(2)26-28(20(18)25-17)14-7-5-13(6-8-14)21(29)30/h5-10,19H,4H2,1-3H3,(H,29,30)
InChIKey XBUYVPXCUHSTQT-UHFFFAOYSA-N
Mol Weight 411.41 g/mol
Molecular Formula C21H19F2N5O2
Exact Mass 411.150681 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 59lh2YcgnRG
Name benzoic acid, 4-[4-(difluoromethyl)-6-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]-
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/C21H19F2N5O2/c1-4-27-12(3)16(10-24-27)17-9-15(19(22)23)18-11(2)26-28(20(18)25-17)14-7-5-13(6-8-14)21(29)30/h5-10,19H,4H2,1-3H3,(H,29,30)
InChIKey XBUYVPXCUHSTQT-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_22762
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: 2239554; UZI_ID: UZI-022770
Temperature 308 °C