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N-(2-tert-butylphenyl)-2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide
SpectraBase Compound ID D1FC2B6PMUi
InChI InChI=1S/C23H22ClN5OS/c1-23(2,3)18-6-4-5-7-19(18)28-20(30)13-31-22-17-12-27-29(21(17)25-14-26-22)16-10-8-15(24)9-11-16/h4-12,14H,13H2,1-3H3,(H,28,30)
InChIKey OMJKCMOFUZOAOQ-UHFFFAOYSA-N
Mol Weight 451.98 g/mol
Molecular Formula C23H22ClN5OS
Exact Mass 451.123359 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GhgJI7JwDpv
Name N-(2-tert-butylphenyl)-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/C23H22ClN5OS/c1-23(2,3)18-6-4-5-7-19(18)28-20(30)13-31-22-17-12-27-29(21(17)25-14-26-22)16-10-8-15(24)9-11-16/h4-12,14H,13H2,1-3H3,(H,28,30)
InChIKey OMJKCMOFUZOAOQ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10004
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: D62373; Labnumber: UDSG-06269; SBI_ID: SBI-010007
Temperature 308 °C