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-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
SpectraBase Compound ID 2j3ggPsRDHh
InChI InChI=1S/C27H19ClN6OS2/c1-16-2-11-22-23(12-16)37-26(33-22)17-3-7-19(8-4-17)32-24(35)14-36-27-21-13-31-34(25(21)29-15-30-27)20-9-5-18(28)6-10-20/h2-13,15H,14H2,1H3,(H,32,35)
InChIKey JDQNIEOVAJFXAD-UHFFFAOYSA-N
Mol Weight 543.06 g/mol
Molecular Formula C27H19ClN6OS2
Exact Mass 542.075029 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 LdkSDc6u3F5
Name 2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]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/C27H19ClN6OS2/c1-16-2-11-22-23(12-16)37-26(33-22)17-3-7-19(8-4-17)32-24(35)14-36-27-21-13-31-34(25(21)29-15-30-27)20-9-5-18(28)6-10-20/h2-13,15H,14H2,1H3,(H,32,35)
InChIKey JDQNIEOVAJFXAD-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9984
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: D62322; Labnumber: UDSG-06196; SBI_ID: SBI-009987
Temperature 308 °C