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1-(4-bromophenyl)-4-[(2-chloro-6-fluorobenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidine

View entire compound with spectra: 1 NMR

1-(4-bromophenyl)-4-[(2-chloro-6-fluorobenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidine
SpectraBase Compound ID Jwp758m0ask
InChI InChI=1S/C18H11BrClFN4S/c19-11-4-6-12(7-5-11)25-17-13(8-24-25)18(23-10-22-17)26-9-14-15(20)2-1-3-16(14)21/h1-8,10H,9H2
InChIKey HVKKVDQFHXGDND-UHFFFAOYSA-N
Mol Weight 449.73 g/mol
Molecular Formula C18H11BrClFN4S
Exact Mass 447.956036 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5S2zYCfGslH
Name 1-(4-bromophenyl)-4-[(2-chloro-6-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/C18H11BrClFN4S/c19-11-4-6-12(7-5-11)25-17-13(8-24-25)18(23-10-22-17)26-9-14-15(20)2-1-3-16(14)21/h1-8,10H,9H2
InChIKey HVKKVDQFHXGDND-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25815
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: D62411; Labnumber: UDSG-06413; SBI_ID: SBI-025819
Synonyms 1-(4-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl 2-chloro-6-fluorobenzyl sulfide
Temperature 318 °C