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N-[1,1'-biphenyl]-2-yl-2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide
SpectraBase Compound ID CckbuKMgVE2
InChI InChI=1S/C25H18ClN5OS/c26-18-10-12-19(13-11-18)31-24-21(14-29-31)25(28-16-27-24)33-15-23(32)30-22-9-5-4-8-20(22)17-6-2-1-3-7-17/h1-14,16H,15H2,(H,30,32)
InChIKey QBOOXNGWAYVOBG-UHFFFAOYSA-N
Mol Weight 471.97 g/mol
Molecular Formula C25H18ClN5OS
Exact Mass 471.092059 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AWTBrMu6fXg
Name N-[1,1'-biphenyl]-2-yl-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/C25H18ClN5OS/c26-18-10-12-19(13-11-18)31-24-21(14-29-31)25(28-16-27-24)33-15-23(32)30-22-9-5-4-8-20(22)17-6-2-1-3-7-17/h1-14,16H,15H2,(H,30,32)
InChIKey QBOOXNGWAYVOBG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25811
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: D62386; Labnumber: UDSG-06285; SBI_ID: SBI-025815
Temperature 318 °C