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2-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2,4,6-tribromophenyl)acetamide

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2-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2,4,6-tribromophenyl)acetamide
SpectraBase Compound ID 1K7YQebZhaH
InChI InChI=1S/C20H14Br3N5OS/c1-11-2-4-13(5-3-11)28-19-14(8-26-28)20(25-10-24-19)30-9-17(29)27-18-15(22)6-12(21)7-16(18)23/h2-8,10H,9H2,1H3,(H,27,29)
InChIKey DOVRYTMBFRSKIX-UHFFFAOYSA-N
Mol Weight 612.14 g/mol
Molecular Formula C20H14Br3N5OS
Exact Mass 608.84692 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KvYBzbvbz7b
Name 2-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2,4,6-tribromophenyl)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/C20H14Br3N5OS/c1-11-2-4-13(5-3-11)28-19-14(8-26-28)20(25-10-24-19)30-9-17(29)27-18-15(22)6-12(21)7-16(18)23/h2-8,10H,9H2,1H3,(H,27,29)
InChIKey DOVRYTMBFRSKIX-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9937
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: D62219; Labnumber: UDSG-05893; SBI_ID: SBI-009940
Temperature 315 °C