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N-(3,5-dichlorophenyl)-2-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide
SpectraBase Compound ID Kjliu1YgBsm
InChI InChI=1S/C20H15Cl2N5OS/c1-12-2-4-16(5-3-12)27-19-17(9-25-27)20(24-11-23-19)29-10-18(28)26-15-7-13(21)6-14(22)8-15/h2-9,11H,10H2,1H3,(H,26,28)
InChIKey QEUCCLUIUKTUJJ-UHFFFAOYSA-N
Mol Weight 444.34 g/mol
Molecular Formula C20H15Cl2N5OS
Exact Mass 443.037437 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9VF9qZQsfT6
Name N-(3,5-dichlorophenyl)-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/C20H15Cl2N5OS/c1-12-2-4-16(5-3-12)27-19-17(9-25-27)20(24-11-23-19)29-10-18(28)26-15-7-13(21)6-14(22)8-15/h2-9,11H,10H2,1H3,(H,26,28)
InChIKey QEUCCLUIUKTUJJ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9953
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: D62250; Labnumber: UDSG-05940; SBI_ID: SBI-009956
Temperature 315 °C