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4-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoic acid
SpectraBase Compound ID Cb5tfOcy990
InChI InChI=1S/C19H15N5O2/c1-12-2-8-15(9-3-12)24-18-16(10-22-24)17(20-11-21-18)23-14-6-4-13(5-7-14)19(25)26/h2-11H,1H3,(H,25,26)(H,20,21,23)
InChIKey SCJVGNCNASVWDJ-UHFFFAOYSA-N
Mol Weight 345.36 g/mol
Molecular Formula C19H15N5O2
Exact Mass 345.122575 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 65VS7FvTSoL
Name 4-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoic acid
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/C19H15N5O2/c1-12-2-8-15(9-3-12)24-18-16(10-22-24)17(20-11-21-18)23-14-6-4-13(5-7-14)19(25)26/h2-11H,1H3,(H,25,26)(H,20,21,23)
InChIKey SCJVGNCNASVWDJ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_7793
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: 127716; Labnumber: RRMEZ-0803; VK_ID: VK-007797
Temperature 318 °C