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1-(4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl N-ethyl-N'-[3-(trifluoromethyl)phenyl]imidothiocarbamate
SpectraBase Compound ID J4akLw2scPe
InChI InChI=1S/C20H17F4N3O2S/c1-2-25-19(26-14-5-3-4-12(10-14)20(22,23)24)30-16-11-17(28)27(18(16)29)15-8-6-13(21)7-9-15/h3-10,16H,2,11H2,1H3,(H,25,26)
InChIKey KWOXYPVZLYAACT-UHFFFAOYSA-N
Mol Weight 439.43 g/mol
Molecular Formula C20H17F4N3O2S
Exact Mass 439.097761 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2HsReHRhBcP
Name 1-(4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl N-ethyl-N'-[3-(trifluoromethyl)phenyl]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/C20H17F4N3O2S/c1-2-25-19(26-14-5-3-4-12(10-14)20(22,23)24)30-16-11-17(28)27(18(16)29)15-8-6-13(21)7-9-15/h3-10,16H,2,11H2,1H3,(H,25,26)
InChIKey KWOXYPVZLYAACT-UHFFFAOYSA-N
NMR Offset 15.6459
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1539
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: UZI/8020975; UBI_ID: UBI-001540
Temperature 308 °C