2-Chloro-5-[(3-chloro-4-methoxy-benzoyl)thiocarbamoylamino]benzoic acid butyl ester

SpectraBase Compound ID	KNDsAz33uD6
InChI	InChI=1S/C20H20Cl2N2O4S/c1-3-4-9-28-19(26)14-11-13(6-7-15(14)21)23-20(29)24-18(25)12-5-8-17(27-2)16(22)10-12/h5-8,10-11H,3-4,9H2,1-2H3,(H2,23,24,25,29)
InChIKey	KVOTXCLABVXDME-UHFFFAOYSA-N Google Search
Mol Weight	455.36 g/mol
Molecular Formula	C20H20Cl2N2O4S
Exact Mass	454.052084 g/mol

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SpectraBase Spectrum ID	7vrvBCrqFqF
Name	benzoic acid, 2-chloro-5-[[[(3-chloro-4-methoxybenzoyl)amino]carbonothioyl]amino]-, butyl 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	454.052083702 u
Formula	C20H20Cl2N2O4S
InChI	InChI=1S/C20H20Cl2N2O4S/c1-3-4-9-28-19(26)14-11-13(6-7-15(14)21)23-20(29)24-18(25)12-5-8-17(27-2)16(22)10-12/h5-8,10-11H,3-4,9H2,1-2H3,(H2,23,24,25,29)
InChIKey	KVOTXCLABVXDME-UHFFFAOYSA-N
Molecular Weight	455.356 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_17259
Solvent	DMSO-d6
Source	Vendor ID: NMR/10322746; Lab Info: LP; Lab Number: LP-3400348