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N-(2-bromo-4,6-difluorophenyl)-2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide
SpectraBase Compound ID Hi7ctkl90nK
InChI InChI=1S/C19H11BrClF2N5OS/c20-14-5-11(22)6-15(23)17(14)27-16(29)8-30-19-13-7-26-28(18(13)24-9-25-19)12-3-1-10(21)2-4-12/h1-7,9H,8H2,(H,27,29)
InChIKey BLARSLVVIVMOQQ-UHFFFAOYSA-N
Mol Weight 510.74 g/mol
Molecular Formula C19H11BrClF2N5OS
Exact Mass 508.952428 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3p2h2bwv3vU
Name N-(2-bromo-4,6-difluorophenyl)-2-{[1-(4-chlorophenyl)-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/C19H11BrClF2N5OS/c20-14-5-11(22)6-15(23)17(14)27-16(29)8-30-19-13-7-26-28(18(13)24-9-25-19)12-3-1-10(21)2-4-12/h1-7,9H,8H2,(H,27,29)
InChIKey BLARSLVVIVMOQQ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9999
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: D62355; Labnumber: UDSG-06241; SBI_ID: SBI-010002
Temperature 308 °C