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

SpectraBase Compound ID	n6CHsJuYbN
InChI	InChI=1S/C23H18F3N3O2/c1-3-14-4-6-15(7-5-14)19-12-18(23(24,25)26)20-13(2)28-29(21(20)27-19)17-10-8-16(9-11-17)22(30)31/h4-12H,3H2,1-2H3,(H,30,31)
InChIKey	RRHUOYNUMJOELV-UHFFFAOYSA-N Google Search
Mol Weight	425.41 g/mol
Molecular Formula	C23H18F3N3O2
Exact Mass	425.135111 g/mol

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SpectraBase Spectrum ID	4zCDbd9kjCs
Name	benzoic acid, 4-[6-(4-ethylphenyl)-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/C23H18F3N3O2/c1-3-14-4-6-15(7-5-14)19-12-18(23(24,25)26)20-13(2)28-29(21(20)27-19)17-10-8-16(9-11-17)22(30)31/h4-12H,3H2,1-2H3,(H,30,31)
InChIKey	RRHUOYNUMJOELV-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_23145
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: 2271098; UZI_ID: UZI-023153
Temperature	308 °C