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4-{5-[(4-fluorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}phenyl methyl ether
SpectraBase Compound ID 4VuRgI5Vmma
InChI InChI=1S/C22H18FN3OS/c1-27-20-13-9-17(10-14-20)21-24-25-22(26(21)19-5-3-2-4-6-19)28-15-16-7-11-18(23)12-8-16/h2-14H,15H2,1H3
InChIKey VKDBPXDELMFJJX-UHFFFAOYSA-N
Mol Weight 391.46 g/mol
Molecular Formula C22H18FN3OS
Exact Mass 391.115462 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BFDat3zd7eZ
Name 4-{5-[(4-fluorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}phenyl methyl ether
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/C22H18FN3OS/c1-27-20-13-9-17(10-14-20)21-24-25-22(26(21)19-5-3-2-4-6-19)28-15-16-7-11-18(23)12-8-16/h2-14H,15H2,1H3
InChIKey VKDBPXDELMFJJX-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4828
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: E08208; Labnumber: GRES-36785; SBI_ID: SBI-004830
Synonyms 3-[(4-fluorobenzyl)sulfanyl]-5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
Temperature 315 °C