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2-{[1-(4-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
SpectraBase Compound ID Jqrqy5SUw89
InChI InChI=1S/C21H18BrN5OS/c1-13-4-3-5-14(2)19(13)26-18(28)11-29-21-17-10-25-27(20(17)23-12-24-21)16-8-6-15(22)7-9-16/h3-10,12H,11H2,1-2H3,(H,26,28)
InChIKey WLKCCQUKTZNJFV-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 GElLuYfJ4Vt
Name 2-{[1-(4-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2,6-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/c1-13-4-3-5-14(2)19(13)26-18(28)11-29-21-17-10-25-27(20(17)23-12-24-21)16-8-6-15(22)7-9-16/h3-10,12H,11H2,1-2H3,(H,26,28)
InChIKey WLKCCQUKTZNJFV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10015
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: D62420; Labnumber: UDSG-06447; SBI_ID: SBI-010018
Temperature 318 °C