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

SpectraBase Compound ID	J83Rc3a2KQN
InChI	InChI=1S/C21H13ClF3N3O2/c1-11-18-16(21(23,24)25)10-17(12-2-6-14(22)7-3-12)26-19(18)28(27-11)15-8-4-13(5-9-15)20(29)30/h2-10H,1H3,(H,29,30)
InChIKey	PEFHAFPUFRGCHP-UHFFFAOYSA-N Google Search
Mol Weight	431.8 g/mol
Molecular Formula	C21H13ClF3N3O2
Exact Mass	431.064839 g/mol

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SpectraBase Spectrum ID	6dNpAiYzx7v
Name	benzoic acid, 4-[6-(4-chlorophenyl)-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/C21H13ClF3N3O2/c1-11-18-16(21(23,24)25)10-17(12-2-6-14(22)7-3-12)26-19(18)28(27-11)15-8-4-13(5-9-15)20(29)30/h2-10H,1H3,(H,29,30)
InChIKey	PEFHAFPUFRGCHP-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_22582
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: 2226189; UZI_ID: UZI-022590
Temperature	308 °C