acetic acid, [[(E)-[[1-(3-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]thio][(4-fluorophenyl)imino]methyl]amino]-, ethyl ester

SpectraBase Compound ID	8QG2T861izM
InChI	InChI=1S/C21H19ClFN3O4S/c1-2-30-19(28)12-24-21(25-15-8-6-14(23)7-9-15)31-17-11-18(27)26(20(17)29)16-5-3-4-13(22)10-16/h3-10,17H,2,11-12H2,1H3,(H,24,25)
InChIKey	AQIKFSYRFYROEX-UHFFFAOYSA-N Google Search
Mol Weight	463.91 g/mol
Molecular Formula	C21H19ClFN3O4S
Exact Mass	463.076883 g/mol

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SpectraBase Spectrum ID	8o02IqwHwGK
Name	acetic acid, [[(E)-[[1-(3-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]thio][(4-fluorophenyl)imino]methyl]amino]-, ethyl ester
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/C21H19ClFN3O4S/c1-2-30-19(28)12-24-21(25-15-8-6-14(23)7-9-15)31-17-11-18(27)26(20(17)29)16-5-3-4-13(22)10-16/h3-10,17H,2,11-12H2,1H3,(H,24,25)
InChIKey	AQIKFSYRFYROEX-UHFFFAOYSA-N
NMR Offset	15.0036
NMR Spectrometer Frequency	250.134
Observed nucleus	1H
Origin	1H_CB_8313_1408
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/9211246; Labnumber: L-04,Polunin
Temperature	297 °C