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benzoic acid, 4-[3-methyl-6-(5-methyl-2-thienyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]-
SpectraBase Compound ID 1E8QvgsxR18
InChI InChI=1S/C20H14F3N3O2S/c1-10-3-8-16(29-10)15-9-14(20(21,22)23)17-11(2)25-26(18(17)24-15)13-6-4-12(5-7-13)19(27)28/h3-9H,1-2H3,(H,27,28)
InChIKey XPCMCLYINJWGHK-UHFFFAOYSA-N
Mol Weight 417.41 g/mol
Molecular Formula C20H14F3N3O2S
Exact Mass 417.075882 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HSs0ymovL7n
Name benzoic acid, 4-[3-methyl-6-(5-methyl-2-thienyl)-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/C20H14F3N3O2S/c1-10-3-8-16(29-10)15-9-14(20(21,22)23)17-11(2)25-26(18(17)24-15)13-6-4-12(5-7-13)19(27)28/h3-9H,1-2H3,(H,27,28)
InChIKey XPCMCLYINJWGHK-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_22802
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: 2242469; UZI_ID: UZI-022810
Temperature 308 °C