2-[4-[(2,4-dichlorobenzoyl)thiocarbamoylamino]-3-methyl-phenyl]-3,3,3-trifluoro-2-hydroxy-propionic acid methyl ester

SpectraBase Compound ID	DxySzNUI3JU
InChI	InChI=1S/C19H15Cl2F3N2O4S/c1-9-7-10(18(29,16(28)30-2)19(22,23)24)3-6-14(9)25-17(31)26-15(27)12-5-4-11(20)8-13(12)21/h3-8,29H,1-2H3,(H2,25,26,27,31)
InChIKey	YPHKJTHYLVJHBK-UHFFFAOYSA-N Google Search
Mol Weight	495.3 g/mol
Molecular Formula	C19H15Cl2F3N2O4S
Exact Mass	494.008168 g/mol

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SpectraBase Spectrum ID	KzMWVTlTf4Z
Name	methyl 2-[4-({[(2,4-dichlorobenzoyl)amino]carbothioyl}amino)-3-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanoate
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/C19H15Cl2F3N2O4S/c1-9-7-10(18(29,16(28)30-2)19(22,23)24)3-6-14(9)25-17(31)26-15(27)12-5-4-11(20)8-13(12)21/h3-8,29H,1-2H3,(H2,25,26,27,31)
InChIKey	YPHKJTHYLVJHBK-UHFFFAOYSA-N
NMR Offset	17.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7529_2670
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: NMR/9312846; Labnumber: AU-EC00951