acetic acid, [4-[[[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]methyl]phenoxy]-, methyl ester

SpectraBase Compound ID	7wpR4N8AgE4
InChI	InChI=1S/C24H20ClN3O3S/c1-30-22(29)15-31-21-13-7-17(8-14-21)16-32-24-27-26-23(18-9-11-19(25)12-10-18)28(24)20-5-3-2-4-6-20/h2-14H,15-16H2,1H3
InChIKey	GRXKLVJEWWYKRI-UHFFFAOYSA-N Google Search
Mol Weight	465.96 g/mol
Molecular Formula	C24H20ClN3O3S
Exact Mass	465.09139 g/mol

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SpectraBase Spectrum ID	IsFiRwRprkv
Name	acetic acid, [4-[[[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]methyl]phenoxy]-, methyl ester
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	465.091390387 u
Formula	C24H20ClN3O3S
InChI	InChI=1S/C24H20ClN3O3S/c1-30-22(29)15-31-21-13-7-17(8-14-21)16-32-24-27-26-23(18-9-11-19(25)12-10-18)28(24)20-5-3-2-4-6-20/h2-14H,15-16H2,1H3
InChIKey	GRXKLVJEWWYKRI-UHFFFAOYSA-N
Molecular Weight	465.955 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_14185
Solvent	DMSO-d6
Source	Vendor ID: NMR/10300424; Lab Info: LP; Lab Number: LP-2190195