benzoic acid, 4-[[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-, methyl ester

SpectraBase Compound ID	3KiHwwrNuoV
InChI	InChI=1S/C21H19N5O2/c1-13-4-9-18(14(2)10-13)26-20-17(11-24-26)19(22-12-23-20)25-16-7-5-15(6-8-16)21(27)28-3/h4-12H,1-3H3,(H,22,23,25)
InChIKey	SKKYWHQVWRZGHE-UHFFFAOYSA-N Google Search
Mol Weight	373.42 g/mol
Molecular Formula	C21H19N5O2
Exact Mass	373.153875 g/mol

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SpectraBase Spectrum ID	3tmszHpQkCv
Name	benzoic acid, 4-[[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-, methyl ester
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/C21H19N5O2/c1-13-4-9-18(14(2)10-13)26-20-17(11-24-26)19(22-12-23-20)25-16-7-5-15(6-8-16)21(27)28-3/h4-12H,1-3H3,(H,22,23,25)
InChIKey	SKKYWHQVWRZGHE-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_6665
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: NMR/10278674