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benzoic acid, 4-[6-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]-

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benzoic acid, 4-[6-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]-
SpectraBase Compound ID KYfh6h57X4E
InChI InChI=1S/C20H16F3N5O2/c1-3-27-10-13(9-24-27)16-8-15(20(21,22)23)17-11(2)26-28(18(17)25-16)14-6-4-12(5-7-14)19(29)30/h4-10H,3H2,1-2H3,(H,29,30)
InChIKey XAQCARZAQJUIJO-UHFFFAOYSA-N
Mol Weight 415.38 g/mol
Molecular Formula C20H16F3N5O2
Exact Mass 415.125609 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4X04bKRuOTX
Name benzoic acid, 4-[6-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-4-(trifluoromethyl)-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/C20H16F3N5O2/c1-3-27-10-13(9-24-27)16-8-15(20(21,22)23)17-11(2)26-28(18(17)25-16)14-6-4-12(5-7-14)19(29)30/h4-10H,3H2,1-2H3,(H,29,30)
InChIKey XAQCARZAQJUIJO-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_22904
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: 2251862; UZI_ID: UZI-022912
Temperature 308 °C