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4-[(2-chloro-6-fluorobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
SpectraBase Compound ID 6zPbsfsBzc9
InChI InChI=1S/C18H12ClFN4S/c19-15-7-4-8-16(20)14(15)10-25-18-13-9-23-24(17(13)21-11-22-18)12-5-2-1-3-6-12/h1-9,11H,10H2
InChIKey MGRSOMZLJZWUFE-UHFFFAOYSA-N
Mol Weight 370.83 g/mol
Molecular Formula C18H12ClFN4S
Exact Mass 370.045523 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GHDDohZjiQ1
Name 4-[(2-chloro-6-fluorobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
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/C18H12ClFN4S/c19-15-7-4-8-16(20)14(15)10-25-18-13-9-23-24(17(13)21-11-22-18)12-5-2-1-3-6-12/h1-9,11H,10H2
InChIKey MGRSOMZLJZWUFE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25810
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: D62116; Labnumber: UDSG-05757; SBI_ID: SBI-025814
Synonyms 2-chloro-6-fluorobenzyl 1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl sulfide
Temperature 318 °C