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benzoic acid, 4-[6-(5-ethyl-2-thienyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]-
SpectraBase Compound ID 2n5Gw7uLhLt
InChI InChI=1S/C21H16F3N3O2S/c1-3-14-8-9-17(30-14)16-10-15(21(22,23)24)18-11(2)26-27(19(18)25-16)13-6-4-12(5-7-13)20(28)29/h4-10H,3H2,1-2H3,(H,28,29)
InChIKey IDUJLAKDYJIWOS-UHFFFAOYSA-N
Mol Weight 431.43 g/mol
Molecular Formula C21H16F3N3O2S
Exact Mass 431.091532 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LKPz7jmEtIH
Name benzoic acid, 4-[6-(5-ethyl-2-thienyl)-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/C21H16F3N3O2S/c1-3-14-8-9-17(30-14)16-10-15(21(22,23)24)18-11(2)26-27(19(18)25-16)13-6-4-12(5-7-13)20(28)29/h4-10H,3H2,1-2H3,(H,28,29)
InChIKey IDUJLAKDYJIWOS-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_22927
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: 2253807; UZI_ID: UZI-022935
Temperature 308 °C