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

SpectraBase Compound ID	4BVpeMD3o6a
InChI	InChI=1S/C22H16F3N3O3/c1-12-19-17(22(23,24)25)11-18(14-4-3-5-16(10-14)31-2)26-20(19)28(27-12)15-8-6-13(7-9-15)21(29)30/h3-11H,1-2H3,(H,29,30)
InChIKey	ZRXPMJJOFHJYJV-UHFFFAOYSA-N Google Search
Mol Weight	427.38 g/mol
Molecular Formula	C22H16F3N3O3
Exact Mass	427.114376 g/mol

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SpectraBase Spectrum ID	6aD6OXx5COZ
Name	benzoic acid, 4-[6-(3-methoxyphenyl)-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/C22H16F3N3O3/c1-12-19-17(22(23,24)25)11-18(14-4-3-5-16(10-14)31-2)26-20(19)28(27-12)15-8-6-13(7-9-15)21(29)30/h3-11H,1-2H3,(H,29,30)
InChIKey	ZRXPMJJOFHJYJV-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_22769
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: 2240205; UZI_ID: UZI-022777
Temperature	308 °C