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1-(4-chlorophenyl)-4-[(4-fluorobenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidine

View entire compound with spectra: 1 NMR

1-(4-chlorophenyl)-4-[(4-fluorobenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidine
SpectraBase Compound ID 7xVE4kC7UF3
InChI InChI=1S/C18H12ClFN4S/c19-13-3-7-15(8-4-13)24-17-16(9-23-24)18(22-11-21-17)25-10-12-1-5-14(20)6-2-12/h1-9,11H,10H2
InChIKey NQEJNRQHACNNHW-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 AJyaAj6I0t5
Name 1-(4-chlorophenyl)-4-[(4-fluorobenzyl)sulfanyl]-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/c19-13-3-7-15(8-4-13)24-17-16(9-23-24)18(22-11-21-17)25-10-12-1-5-14(20)6-2-12/h1-9,11H,10H2
InChIKey NQEJNRQHACNNHW-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9973
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: D62288; Labnumber: UDSG-06152; SBI_ID: SBI-009976
Synonyms 1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl 4-fluorobenzyl sulfide
Temperature 315 °C