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N-(2-methoxy-5-methylphenyl)-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide
SpectraBase Compound ID 7u8VrOMsTik
InChI InChI=1S/C21H19N5O2S/c1-14-8-9-18(28-2)17(10-14)25-19(27)12-29-21-16-11-24-26(20(16)22-13-23-21)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,25,27)
InChIKey NCEKQDDWXRNRBO-UHFFFAOYSA-N
Mol Weight 405.48 g/mol
Molecular Formula C21H19N5O2S
Exact Mass 405.125946 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E5I6HaWYbdi
Name N-(2-methoxy-5-methylphenyl)-2-[(1-phenyl-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/C21H19N5O2S/c1-14-8-9-18(28-2)17(10-14)25-19(27)12-29-21-16-11-24-26(20(16)22-13-23-21)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,25,27)
InChIKey NCEKQDDWXRNRBO-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25807
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: D62058; Labnumber: UDSG-05678; SBI_ID: SBI-025811
Temperature 318 °C