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2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(2-bromophenyl)acetamide
SpectraBase Compound ID 52WQgBjkmsJ
InChI InChI=1S/C20H16BrN5OS/c21-16-8-4-5-9-17(16)25-18(27)12-28-20-15-10-24-26(19(15)22-13-23-20)11-14-6-2-1-3-7-14/h1-10,13H,11-12H2,(H,25,27)
InChIKey KGSUGALVMCMDMO-UHFFFAOYSA-N
Mol Weight 454.35 g/mol
Molecular Formula C20H16BrN5OS
Exact Mass 453.025894 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J6hRNy62XDq
Name 2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(2-bromophenyl)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/C20H16BrN5OS/c21-16-8-4-5-9-17(16)25-18(27)12-28-20-15-10-24-26(19(15)22-13-23-20)11-14-6-2-1-3-7-14/h1-10,13H,11-12H2,(H,25,27)
InChIKey KGSUGALVMCMDMO-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26216
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: D62523; Labnumber: UDSG-06755; SBI_ID: SBI-026220
Temperature 308 °C