For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
N-[5-(acetylamino)-2-methoxyphenyl]-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide
SpectraBase Compound ID buUGu4XUqA
InChI InChI=1S/C22H20N6O3S/c1-14(29)26-15-8-9-19(31-2)18(10-15)27-20(30)12-32-22-17-11-25-28(21(17)23-13-24-22)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,26,29)(H,27,30)
InChIKey AUQLWMHLSAJIPP-UHFFFAOYSA-N
Mol Weight 448.5 g/mol
Molecular Formula C22H20N6O3S
Exact Mass 448.13176 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID GS0ZaoPr4hX
Name N-[5-(acetylamino)-2-methoxyphenyl]-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/C22H20N6O3S/c1-14(29)26-15-8-9-19(31-2)18(10-15)27-20(30)12-32-22-17-11-25-28(21(17)23-13-24-22)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,26,29)(H,27,30)
InChIKey AUQLWMHLSAJIPP-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26182
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: D62077; Labnumber: UDSG-05699; SBI_ID: SBI-026186
Temperature 308 °C