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N-(4-bromophenyl)-2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide
SpectraBase Compound ID 2XeL7Eeb1vH
InChI InChI=1S/C19H13BrClN5OS/c20-12-1-5-14(6-2-12)25-17(27)10-28-19-16-9-24-26(18(16)22-11-23-19)15-7-3-13(21)4-8-15/h1-9,11H,10H2,(H,25,27)
InChIKey SKWJRYMYBWOELT-UHFFFAOYSA-N
Mol Weight 474.76 g/mol
Molecular Formula C19H13BrClN5OS
Exact Mass 472.971272 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 11BWkXXHKBV
Name N-(4-bromophenyl)-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/C19H13BrClN5OS/c20-12-1-5-14(6-2-12)25-17(27)10-28-19-16-9-24-26(18(16)22-11-23-19)15-7-3-13(21)4-8-15/h1-9,11H,10H2,(H,25,27)
InChIKey SKWJRYMYBWOELT-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9988
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: D62334; Labnumber: UDSG-06211; SBI_ID: SBI-009991
Temperature 308 °C