2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone

SpectraBase Compound ID	9HN6j6Xt9ud
InChI	InChI=1S/C23H17ClFN3O2S/c1-30-20-4-2-3-16(13-20)22-26-27-23(28(22)19-11-7-17(24)8-12-19)31-14-21(29)15-5-9-18(25)10-6-15/h2-13H,14H2,1H3
InChIKey	RFPPHERJYUNPPO-UHFFFAOYSA-N Google Search
Mol Weight	453.92 g/mol
Molecular Formula	C23H17ClFN3O2S
Exact Mass	453.071404 g/mol

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SpectraBase Spectrum ID	2BWKSKnoWHM
Name	2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone
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/C23H17ClFN3O2S/c1-30-20-4-2-3-16(13-20)22-26-27-23(28(22)19-11-7-17(24)8-12-19)31-14-21(29)15-5-9-18(25)10-6-15/h2-13H,14H2,1H3
InChIKey	RFPPHERJYUNPPO-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11215
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: E06294; Labnumber: GRES-19880; SBI_ID: SBI-011218
Temperature	318 °C