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

*Links on SpectraBase are not permalinks.
N-(2,4-difluorophenyl)-2-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide
SpectraBase Compound ID L1VekvfgYc4
InChI InChI=1S/C20H15F2N5OS/c1-12-2-5-14(6-3-12)27-19-15(9-25-27)20(24-11-23-19)29-10-18(28)26-17-7-4-13(21)8-16(17)22/h2-9,11H,10H2,1H3,(H,26,28)
InChIKey KLAHWFDZOQECOX-UHFFFAOYSA-N
Mol Weight 411.43 g/mol
Molecular Formula C20H15F2N5OS
Exact Mass 411.096538 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 8x221wwrJ9O
Name N-(2,4-difluorophenyl)-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/C20H15F2N5OS/c1-12-2-5-14(6-3-12)27-19-15(9-25-27)20(24-11-23-19)29-10-18(28)26-17-7-4-13(21)8-16(17)22/h2-9,11H,10H2,1H3,(H,26,28)
InChIKey KLAHWFDZOQECOX-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9914
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: D62186; Labnumber: UDSG-05852; SBI_ID: SBI-009917
Temperature 315 °C