methyl 4-(4-phenyl-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl ether

SpectraBase Compound ID	ElYXhLAbyua
InChI	InChI=1S/C23H18F3N3OS/c1-30-20-12-10-17(11-13-20)21-27-28-22(29(21)19-8-3-2-4-9-19)31-15-16-6-5-7-18(14-16)23(24,25)26/h2-14H,15H2,1H3
InChIKey	KDRCBLVIMGHDPK-UHFFFAOYSA-N Google Search
Mol Weight	441.47 g/mol
Molecular Formula	C23H18F3N3OS
Exact Mass	441.112268 g/mol

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SpectraBase Spectrum ID	1to34aBTVa
Name	methyl 4-(4-phenyl-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl 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/C23H18F3N3OS/c1-30-20-12-10-17(11-13-20)21-27-28-22(29(21)19-8-3-2-4-9-19)31-15-16-6-5-7-18(14-16)23(24,25)26/h2-14H,15H2,1H3
InChIKey	KDRCBLVIMGHDPK-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4827
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: E08206; Labnumber: GRES-36783; SBI_ID: SBI-004829
Synonyms	3-(4-methoxyphenyl)-4-phenyl-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole
Temperature	315 °C