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N-(3,4-difluorophenyl)-2-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide
SpectraBase Compound ID 1OR1ICsPxdk
InChI InChI=1S/C20H15F2N5OS/c1-12-2-5-14(6-3-12)27-19-15(9-25-27)20(24-11-23-19)29-10-18(28)26-13-4-7-16(21)17(22)8-13/h2-9,11H,10H2,1H3,(H,26,28)
InChIKey BPRPWUXENRBSSR-UHFFFAOYSA-N
Mol Weight 411.43 g/mol
Molecular Formula C20H15F2N5OS
Exact Mass 411.096538 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5oKFyl9WMoA
Name N-(3,4-difluorophenyl)-2-{[1-(4-methylphenyl)-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/C20H15F2N5OS/c1-12-2-5-14(6-3-12)27-19-15(9-25-27)20(24-11-23-19)29-10-18(28)26-13-4-7-16(21)17(22)8-13/h2-9,11H,10H2,1H3,(H,26,28)
InChIKey BPRPWUXENRBSSR-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9917
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: D62189; Labnumber: UDSG-05855; SBI_ID: SBI-009920
Temperature 315 °C