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N-(4-ethylphenyl)-2-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide
SpectraBase Compound ID Ckk63MNr3aa
InChI InChI=1S/C22H21N5OS/c1-3-16-6-8-17(9-7-16)26-20(28)13-29-22-19-12-25-27(21(19)23-14-24-22)18-10-4-15(2)5-11-18/h4-12,14H,3,13H2,1-2H3,(H,26,28)
InChIKey RBEJYWPTEZJTHB-UHFFFAOYSA-N
Mol Weight 403.5 g/mol
Molecular Formula C22H21N5OS
Exact Mass 403.146681 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7ZgIhPo8Xit
Name N-(4-ethylphenyl)-2-{[1-(4-methylphenyl)-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/C22H21N5OS/c1-3-16-6-8-17(9-7-16)26-20(28)13-29-22-19-12-25-27(21(19)23-14-24-22)18-10-4-15(2)5-11-18/h4-12,14H,3,13H2,1-2H3,(H,26,28)
InChIKey RBEJYWPTEZJTHB-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9949
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: D62243; Labnumber: UDSG-05931; SBI_ID: SBI-009952
Temperature 315 °C