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4-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole
SpectraBase Compound ID 6uauWkGUV8u
InChI InChI=1S/C23H17ClF3N3OS/c1-31-20-7-3-5-16(13-20)21-28-29-22(30(21)19-10-8-18(24)9-11-19)32-14-15-4-2-6-17(12-15)23(25,26)27/h2-13H,14H2,1H3
InChIKey BPJWQASVFOMSCT-UHFFFAOYSA-N
Mol Weight 475.92 g/mol
Molecular Formula C23H17ClF3N3OS
Exact Mass 475.073296 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GyeeihcroSa
Name 4-(4-chlorophenyl)-3-(3-methoxyphenyl)-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/C23H17ClF3N3OS/c1-31-20-7-3-5-16(13-20)21-28-29-22(30(21)19-10-8-18(24)9-11-19)32-14-15-4-2-6-17(12-15)23(25,26)27/h2-13H,14H2,1H3
InChIKey BPJWQASVFOMSCT-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4967
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: E08439; Labnumber: GRES-37063; SBI_ID: SBI-004969
Synonyms 3-(4-(4-chlorophenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl methyl ether
Temperature 308 °C