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

*Links on SpectraBase are not permalinks.
2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2-ethyl-6-methylphenyl)acetamide
SpectraBase Compound ID 20sjBpZ4bA8
InChI InChI=1S/C22H20ClN5OS/c1-3-15-6-4-5-14(2)20(15)27-19(29)12-30-22-18-11-26-28(21(18)24-13-25-22)17-9-7-16(23)8-10-17/h4-11,13H,3,12H2,1-2H3,(H,27,29)
InChIKey GNHQBKMTOPEPBQ-UHFFFAOYSA-N
Mol Weight 437.95 g/mol
Molecular Formula C22H20ClN5OS
Exact Mass 437.107709 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 3QxOs34cmDi
Name 2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2-ethyl-6-methylphenyl)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/C22H20ClN5OS/c1-3-15-6-4-5-14(2)20(15)27-19(29)12-30-22-18-11-26-28(21(18)24-13-25-22)17-9-7-16(23)8-10-17/h4-11,13H,3,12H2,1-2H3,(H,27,29)
InChIKey GNHQBKMTOPEPBQ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9995
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: D62350; Labnumber: UDSG-06233; SBI_ID: SBI-009998
Temperature 308 °C