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

*Links on SpectraBase are not permalinks.
N-[4-(dimethylamino)phenyl]-2-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide
SpectraBase Compound ID 3c9DRRfBpGp
InChI InChI=1S/C22H22N6OS/c1-15-4-8-18(9-5-15)28-21-19(12-25-28)22(24-14-23-21)30-13-20(29)26-16-6-10-17(11-7-16)27(2)3/h4-12,14H,13H2,1-3H3,(H,26,29)
InChIKey IYNAIMHVPLZKIY-UHFFFAOYSA-N
Mol Weight 418.52 g/mol
Molecular Formula C22H22N6OS
Exact Mass 418.157581 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 5Du7QFz50ML
Name N-[4-(dimethylamino)phenyl]-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/C22H22N6OS/c1-15-4-8-18(9-5-15)28-21-19(12-25-28)22(24-14-23-21)30-13-20(29)26-16-6-10-17(11-7-16)27(2)3/h4-12,14H,13H2,1-3H3,(H,26,29)
InChIKey IYNAIMHVPLZKIY-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9925
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: D62201; Labnumber: UDSG-05872; SBI_ID: SBI-009928
Temperature 315 °C