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3-(3-Fluoro-benzylsulfanyl)-5-(3-fluoro-phenyl)-4-phenyl-4H-[1,2,4]triazole

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-(3-Fluoro-benzylsulfanyl)-5-(3-fluoro-phenyl)-4-phenyl-4H-[1,2,4]triazole
SpectraBase Compound ID AFY6NPK7f2R
InChI InChI=1S/C21H15F2N3S/c22-17-8-4-6-15(12-17)14-27-21-25-24-20(16-7-5-9-18(23)13-16)26(21)19-10-2-1-3-11-19/h1-13H,14H2
InChIKey WDPOHKGAZVMAME-UHFFFAOYSA-N
Mol Weight 379.43 g/mol
Molecular Formula C21H15F2N3S
Exact Mass 379.095475 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7ljkpG13HAg
Name 4H-1,2,4-triazole, 3-(3-fluorophenyl)-5-[[(3-fluorophenyl)methyl]thio]-4-phenyl-
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/C21H15F2N3S/c22-17-8-4-6-15(12-17)14-27-21-25-24-20(16-7-5-9-18(23)13-16)26(21)19-10-2-1-3-11-19/h1-13H,14H2
InChIKey WDPOHKGAZVMAME-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_2596
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: NMR/10222853; Labnumber: SAD-DAS1475