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benzoic acid, 4-[3-methyl-6-(4-methylphenyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]-
SpectraBase Compound ID 3djx1NIsknf
InChI InChI=1S/C22H16F3N3O2/c1-12-3-5-14(6-4-12)18-11-17(22(23,24)25)19-13(2)27-28(20(19)26-18)16-9-7-15(8-10-16)21(29)30/h3-11H,1-2H3,(H,29,30)
InChIKey HHYAKBCGUYQYGQ-UHFFFAOYSA-N
Mol Weight 411.38 g/mol
Molecular Formula C22H16F3N3O2
Exact Mass 411.119461 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IHeoP3vl2ZC
Name benzoic acid, 4-[3-methyl-6-(4-methylphenyl)-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/C22H16F3N3O2/c1-12-3-5-14(6-4-12)18-11-17(22(23,24)25)19-13(2)27-28(20(19)26-18)16-9-7-15(8-10-16)21(29)30/h3-11H,1-2H3,(H,29,30)
InChIKey HHYAKBCGUYQYGQ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_22580
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: 2226116; UZI_ID: UZI-022588
Temperature 308 °C