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1-{4-[chloro(difluoro)methoxy]phenyl}-2,5-dioxo-3-pyrrolidinyl N-(3,5-dichloro-4-hydroxyphenyl)-N'-[(Z)-ethyl]imidothiocarbamate acetate

View entire compound with spectra: 1 NMR

1-{4-[chloro(difluoro)methoxy]phenyl}-2,5-dioxo-3-pyrrolidinyl N-(3,5-dichloro-4-hydroxyphenyl)-N'-[(Z)-ethyl]imidothiocarbamate acetate
SpectraBase Compound ID 8gljKkNLSjU
InChI InChI=1S/C20H16Cl3F2N3O4S.C2H4O2/c1-2-26-19(27-10-7-13(21)17(30)14(22)8-10)33-15-9-16(29)28(18(15)31)11-3-5-12(6-4-11)32-20(23,24)25;1-2(3)4/h3-8,15,30H,2,9H2,1H3,(H,26,27);1H3,(H,3,4)
InChIKey DBTYVTNCZVBYQQ-UHFFFAOYSA-N
Mol Weight 598.83 g/mol
Molecular Formula C22H20Cl3F2N3O6S
Exact Mass 597.010646 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2z4ABOXKScq
Name 1-{4-[chloro(difluoro)methoxy]phenyl}-2,5-dioxo-3-pyrrolidinyl N-(3,5-dichloro-4-hydroxyphenyl)-N'-[(Z)-ethyl]imidothiocarbamate acetate
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/C20H16Cl3F2N3O4S.C2H4O2/c1-2-26-19(27-10-7-13(21)17(30)14(22)8-10)33-15-9-16(29)28(18(15)31)11-3-5-12(6-4-11)32-20(23,24)25;1-2(3)4/h3-8,15,30H,2,9H2,1H3,(H,26,27);1H3,(H,3,4)
InChIKey DBTYVTNCZVBYQQ-UHFFFAOYSA-N
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Origin 1H_ASIOH_7529_2126
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/9296260; Labnumber: PE/9044065