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2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2,5-dichlorophenyl)acetamide

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2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2,5-dichlorophenyl)acetamide
SpectraBase Compound ID GTvS4ocBx8C
InChI InChI=1S/C19H12Cl3N5OS/c20-11-1-4-13(5-2-11)27-18-14(8-25-27)19(24-10-23-18)29-9-17(28)26-16-7-12(21)3-6-15(16)22/h1-8,10H,9H2,(H,26,28)
InChIKey KOTUONQDJVVYIH-UHFFFAOYSA-N
Mol Weight 464.76 g/mol
Molecular Formula C19H12Cl3N5OS
Exact Mass 462.982814 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BISpz2NNv4O
Name 2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2,5-dichlorophenyl)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/C19H12Cl3N5OS/c20-11-1-4-13(5-2-11)27-18-14(8-25-27)19(24-10-23-18)29-9-17(28)26-16-7-12(21)3-6-15(16)22/h1-8,10H,9H2,(H,26,28)
InChIKey KOTUONQDJVVYIH-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10012
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: D62396; Labnumber: UDSG-06300; SBI_ID: SBI-010015
Temperature 308 °C