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N-(2-chloro-4,6-dimethylphenyl)-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide

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N-(2-chloro-4,6-dimethylphenyl)-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide
SpectraBase Compound ID 2Z8MLeqmbcp
InChI InChI=1S/C21H18ClN5OS/c1-13-8-14(2)19(17(22)9-13)26-18(28)11-29-21-16-10-25-27(20(16)23-12-24-21)15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,26,28)
InChIKey MAUONAXXHDFFFH-UHFFFAOYSA-N
Mol Weight 423.92 g/mol
Molecular Formula C21H18ClN5OS
Exact Mass 423.092059 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6YFvXzLvB7R
Name N-(2-chloro-4,6-dimethylphenyl)-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide
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/C21H18ClN5OS/c1-13-8-14(2)19(17(22)9-13)26-18(28)11-29-21-16-10-25-27(20(16)23-12-24-21)15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,26,28)
InChIKey MAUONAXXHDFFFH-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9879
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: D62130; Labnumber: UDSG-05778; SBI_ID: SBI-009882
Temperature 315 °C