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3-(4-chlorophenyl)-4-phenyl-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole
SpectraBase Compound ID FV63OQcGxLs
InChI InChI=1S/C22H15ClF3N3S/c23-18-11-9-16(10-12-18)20-27-28-21(29(20)19-7-2-1-3-8-19)30-14-15-5-4-6-17(13-15)22(24,25)26/h1-13H,14H2
InChIKey PGRKJXRSYDOGGN-UHFFFAOYSA-N
Mol Weight 445.89 g/mol
Molecular Formula C22H15ClF3N3S
Exact Mass 445.062731 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8VHTTF87qYH
Name 3-(4-chlorophenyl)-4-phenyl-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-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/C22H15ClF3N3S/c23-18-11-9-16(10-12-18)20-27-28-21(29(20)19-7-2-1-3-8-19)30-14-15-5-4-6-17(13-15)22(24,25)26/h1-13H,14H2
InChIKey PGRKJXRSYDOGGN-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11734
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: E08675; Labnumber: GRES-37337; SBI_ID: SBI-011737
Synonyms 5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl 3-(trifluoromethyl)benzyl sulfide
Temperature 308 °C