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3-(3,4-dimethoxyphenyl)-5-[(4-fluorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole

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3-(3,4-dimethoxyphenyl)-5-[(4-fluorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole
SpectraBase Compound ID JMNkMHOUx80
InChI InChI=1S/C23H20FN3O2S/c1-28-20-13-10-17(14-21(20)29-2)22-25-26-23(27(22)19-6-4-3-5-7-19)30-15-16-8-11-18(24)12-9-16/h3-14H,15H2,1-2H3
InChIKey XGAWGZUFGZIIET-UHFFFAOYSA-N
Mol Weight 421.49 g/mol
Molecular Formula C23H20FN3O2S
Exact Mass 421.126026 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5SE5Ec5yiOi
Name 3-(3,4-dimethoxyphenyl)-5-[(4-fluorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole
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/C23H20FN3O2S/c1-28-20-13-10-17(14-21(20)29-2)22-25-26-23(27(22)19-6-4-3-5-7-19)30-15-16-8-11-18(24)12-9-16/h3-14H,15H2,1-2H3
InChIKey XGAWGZUFGZIIET-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3088
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: D08977; Labnumber: SPPOL-2892; SBI_ID: SBI-003090
Temperature 315 °C