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2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide
SpectraBase Compound ID B16Hd3n03RM
InChI InChI=1S/C21H17Br2N5OS/c1-13-7-16(22)19(17(23)8-13)27-18(29)11-30-21-15-9-26-28(20(15)24-12-25-21)10-14-5-3-2-4-6-14/h2-9,12H,10-11H2,1H3,(H,27,29)
InChIKey QMGRJFCHKMPDFE-UHFFFAOYSA-N
Mol Weight 547.27 g/mol
Molecular Formula C21H17Br2N5OS
Exact Mass 544.952057 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 56gjBIFzQon
Name 2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)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/C21H17Br2N5OS/c1-13-7-16(22)19(17(23)8-13)27-18(29)11-30-21-15-9-26-28(20(15)24-12-25-21)10-14-5-3-2-4-6-14/h2-9,12H,10-11H2,1H3,(H,27,29)
InChIKey QMGRJFCHKMPDFE-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26224
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: D62532; Labnumber: UDSG-06768; SBI_ID: SBI-026228
Temperature 308 °C