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carbamimidothioic acid, N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-methyl]-, 1-(3,5-dichlorophenyl)-2,5-dioxo-3-pyrrolidinyl ester

View entire compound with spectra: 2 NMR

carbamimidothioic acid, N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-methyl]-, 1-(3,5-dichlorophenyl)-2,5-dioxo-3-pyrrolidinyl ester
SpectraBase Compound ID D51pUqPMsir
InChI InChI=1S/C19H13Cl3F3N3O2S/c1-26-18(27-11-2-3-14(22)13(7-11)19(23,24)25)31-15-8-16(29)28(17(15)30)12-5-9(20)4-10(21)6-12/h2-7,15H,8H2,1H3,(H,26,27)
InChIKey IECQBKJOQHKDIF-UHFFFAOYSA-N
Mol Weight 510.75 g/mol
Molecular Formula C19H13Cl3F3N3O2S
Exact Mass 508.974615 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A6GjoQWPJtH
Name 1-(3,5-dichlorophenyl)-2,5-dioxo-3-pyrrolidinyl N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-methylimidothiocarbamate
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/C19H13Cl3F3N3O2S/c1-26-18(27-11-2-3-14(22)13(7-11)19(23,24)25)31-15-8-16(29)28(17(15)30)12-5-9(20)4-10(21)6-12/h2-7,15H,8H2,1H3,(H,26,27)
InChIKey IECQBKJOQHKDIF-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_948
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/9221048; Labnumber: L-04,Polunin