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3-[(2,6-difluorobenzyl)sulfanyl]-5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
SpectraBase Compound ID 4sUMBdohEs2
InChI InChI=1S/C22H17F2N3OS/c1-28-17-10-5-7-15(13-17)21-25-26-22(27(21)16-8-3-2-4-9-16)29-14-18-19(23)11-6-12-20(18)24/h2-13H,14H2,1H3
InChIKey WBSLGXSKWJHGTN-UHFFFAOYSA-N
Mol Weight 409.45 g/mol
Molecular Formula C22H17F2N3OS
Exact Mass 409.10604 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Pr2IYhWxp0
Name 3-[(2,6-difluorobenzyl)sulfanyl]-5-(3-methoxyphenyl)-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/C22H17F2N3OS/c1-28-17-10-5-7-15(13-17)21-25-26-22(27(21)16-8-3-2-4-9-16)29-14-18-19(23)11-6-12-20(18)24/h2-13H,14H2,1H3
InChIKey WBSLGXSKWJHGTN-UHFFFAOYSA-N
NMR Offset 18.0216
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_3522
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: ZI/7073722; Labnumber: LP-2179074; IOH_ID: IOH-003523
Synonyms 3-{5-[(2,6-difluorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}phenyl methyl ether
Temperature 303 °C