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benzoic acid, 4-[3-methyl-6-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]-
SpectraBase Compound ID 7VLGVrhx4Ty
InChI InChI=1S/C21H14F3N3O2/c1-12-18-16(21(22,23)24)11-17(13-5-3-2-4-6-13)25-19(18)27(26-12)15-9-7-14(8-10-15)20(28)29/h2-11H,1H3,(H,28,29)
InChIKey ZYOGEURCUCABOE-UHFFFAOYSA-N
Mol Weight 397.36 g/mol
Molecular Formula C21H14F3N3O2
Exact Mass 397.103811 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ejb2C97ol7D
Name benzoic acid, 4-[3-methyl-6-phenyl-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/C21H14F3N3O2/c1-12-18-16(21(22,23)24)11-17(13-5-3-2-4-6-13)25-19(18)27(26-12)15-9-7-14(8-10-15)20(28)29/h2-11H,1H3,(H,28,29)
InChIKey ZYOGEURCUCABOE-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_22570
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: 2225140; UZI_ID: UZI-022578
Temperature 308 °C