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2-{[1-(4-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide

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2-{[1-(4-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide
SpectraBase Compound ID KdiRpXYzpeo
InChI InChI=1S/C21H18BrN5OS/c1-13-3-4-14(2)18(9-13)26-19(28)11-29-21-17-10-25-27(20(17)23-12-24-21)16-7-5-15(22)6-8-16/h3-10,12H,11H2,1-2H3,(H,26,28)
InChIKey DXZXMSLKMVTYLS-UHFFFAOYSA-N
Mol Weight 468.37 g/mol
Molecular Formula C21H18BrN5OS
Exact Mass 467.041544 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BhMDSMn0xYG
Name 2-{[1-(4-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2,5-dimethylphenyl)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/C21H18BrN5OS/c1-13-3-4-14(2)18(9-13)26-19(28)11-29-21-17-10-25-27(20(17)23-12-24-21)16-7-5-15(22)6-8-16/h3-10,12H,11H2,1-2H3,(H,26,28)
InChIKey DXZXMSLKMVTYLS-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10020
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: D62430; Labnumber: UDSG-06462; SBI_ID: SBI-010023
Temperature 318 °C