carbamodithioic acid, diethyl-, 2-[1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl ester

SpectraBase Compound ID	CRXF9lk2FVk
InChI	InChI=1S/C20H22ClF3N2OS2/c1-5-25(6-2)19(28)29-11-18(27)15-9-12(3)26(13(15)4)14-7-8-17(21)16(10-14)20(22,23)24/h7-10H,5-6,11H2,1-4H3
InChIKey	NRTVEQCMXVIAAL-UHFFFAOYSA-N Google Search
Mol Weight	462.98 g/mol
Molecular Formula	C20H22ClF3N2OS2
Exact Mass	462.081418 g/mol

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SpectraBase Spectrum ID	K1n6cnYqoTV
Name	carbamodithioic acid, diethyl-, 2-[1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl 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/C20H22ClF3N2OS2/c1-5-25(6-2)19(28)29-11-18(27)15-9-12(3)26(13(15)4)14-7-8-17(21)16(10-14)20(22,23)24/h7-10H,5-6,11H2,1-4H3
InChIKey	NRTVEQCMXVIAAL-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_3517_913
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/11228617