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1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-4-thiol
SpectraBase Compound ID C4Xo9tgxI8s
InChI InChI=1S/C11H7ClN4S/c12-7-1-3-8(4-2-7)16-10-9(5-15-16)11(17)14-6-13-10/h1-6H,(H,13,14,17)
InChIKey CZGVRFHZDOOIOU-UHFFFAOYSA-N
Mol Weight 262.72 g/mol
Molecular Formula C11H7ClN4S
Exact Mass 262.007995 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1RdqNz7Zlp2
Name 1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-4-thiol
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/C11H7ClN4S/c12-7-1-3-8(4-2-7)16-10-9(5-15-16)11(17)14-6-13-10/h1-6H,(H,13,14,17)
InChIKey CZGVRFHZDOOIOU-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9972
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: D62281; Labnumber: UDSG-06144; SBI_ID: SBI-009975
Synonyms 1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl hydrosulfide
Temperature 315 °C