carbamimidothioic acid, N'-[(E)-ethyl]-N-(2-methoxyphenyl)-, 1-(2-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl ester

SpectraBase Compound ID	1Mjvjj0FHtZ
InChI	InChI=1S/C20H20FN3O3S/c1-3-22-20(23-14-9-5-7-11-16(14)27-2)28-17-12-18(25)24(19(17)26)15-10-6-4-8-13(15)21/h4-11,17H,3,12H2,1-2H3,(H,22,23)
InChIKey	KHNJRSROSSCXMY-UHFFFAOYSA-N Google Search
Mol Weight	401.46 g/mol
Molecular Formula	C20H20FN3O3S
Exact Mass	401.120941 g/mol

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SpectraBase Spectrum ID	LFK5oiqC82Q
Name	1-(2-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl N-ethyl-N'-(2-methoxyphenyl)imidothiocarbamate
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/C20H20FN3O3S/c1-3-22-20(23-14-9-5-7-11-16(14)27-2)28-17-12-18(25)24(19(17)26)15-10-6-4-8-13(15)21/h4-11,17H,3,12H2,1-2H3,(H,22,23)
InChIKey	KHNJRSROSSCXMY-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7529_295
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: ZI/8090349; Labnumber: PE-0002827