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N-[4-(acetylamino)phenyl]-2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide
SpectraBase Compound ID DNs0HOuNJIj
InChI InChI=1S/C22H20N6O2S/c1-15(29)26-17-7-9-18(10-8-17)27-20(30)13-31-22-19-11-25-28(21(19)23-14-24-22)12-16-5-3-2-4-6-16/h2-11,14H,12-13H2,1H3,(H,26,29)(H,27,30)
InChIKey RYVWYTXJSBTBBN-UHFFFAOYSA-N
Mol Weight 432.5 g/mol
Molecular Formula C22H20N6O2S
Exact Mass 432.136845 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4uPF8O4wmzM
Name N-[4-(acetylamino)phenyl]-2-[(1-benzyl-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/C22H20N6O2S/c1-15(29)26-17-7-9-18(10-8-17)27-20(30)13-31-22-19-11-25-28(21(19)23-14-24-22)12-16-5-3-2-4-6-16/h2-11,14H,12-13H2,1H3,(H,26,29)(H,27,30)
InChIKey RYVWYTXJSBTBBN-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10037
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: D62459; Labnumber: UDSG-06663; SBI_ID: SBI-010040
Temperature 318 °C