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2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-3-pyrrolidinyl N-(1,3-benzodioxol-5-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]imidothiocarbamate

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2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-3-pyrrolidinyl N-(1,3-benzodioxol-5-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]imidothiocarbamate
SpectraBase Compound ID 6rd5V7hqNQ7
InChI InChI=1S/C27H19F6N3O5S/c28-26(29,30)16-2-1-3-17(11-16)35-25(34-13-15-4-9-20-21(10-15)40-14-39-20)42-22-12-23(37)36(24(22)38)18-5-7-19(8-6-18)41-27(31,32)33/h1-11,22H,12-14H2,(H,34,35)
InChIKey UNTRSTVZRRHBNF-UHFFFAOYSA-N
Mol Weight 611.52 g/mol
Molecular Formula C27H19F6N3O5S
Exact Mass 611.094961 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FIz7FlPjkJd
Name 2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-3-pyrrolidinyl N-(1,3-benzodioxol-5-ylmethyl)-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/C27H19F6N3O5S/c28-26(29,30)16-2-1-3-17(11-16)35-25(34-13-15-4-9-20-21(10-15)40-14-39-20)42-22-12-23(37)36(24(22)38)18-5-7-19(8-6-18)41-27(31,32)33/h1-11,22H,12-14H2,(H,34,35)
InChIKey UNTRSTVZRRHBNF-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_1721
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: ZI/9042133; Labnumber: PE-0000175
Temperature 303 °C