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2,5-dioxo-1-(4-propoxyphenyl)-3-pyrrolidinyl N-methyl-N'-[3-(trifluoromethyl)phenyl]imidothiocarbamate
SpectraBase Compound ID G4Wyuqu22Dy
InChI InChI=1S/C22H22F3N3O3S/c1-3-11-31-17-9-7-16(8-10-17)28-19(29)13-18(20(28)30)32-21(26-2)27-15-6-4-5-14(12-15)22(23,24)25/h4-10,12,18H,3,11,13H2,1-2H3,(H,26,27)
InChIKey HHBQWCSUBJSSSO-UHFFFAOYSA-N
Mol Weight 465.49 g/mol
Molecular Formula C22H22F3N3O3S
Exact Mass 465.133397 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2j1Nh0F32M0
Name 2,5-dioxo-1-(4-propoxyphenyl)-3-pyrrolidinyl N-methyl-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/C22H22F3N3O3S/c1-3-11-31-17-9-7-16(8-10-17)28-19(29)13-18(20(28)30)32-21(26-2)27-15-6-4-5-14(12-15)22(23,24)25/h4-10,12,18H,3,11,13H2,1-2H3,(H,26,27)
InChIKey HHBQWCSUBJSSSO-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1823
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/8027831; UBI_ID: UBI-001824
Temperature 313 °C