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thiourea, N-(1,3-benzodioxol-5-ylmethyl)-N-[2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-3-pyrrolidinyl]-N'-methyl-
SpectraBase Compound ID E7TSzsVcCBv
InChI InChI=1S/C21H18F3N3O5S/c1-25-20(33)26(10-12-2-7-16-17(8-12)31-11-30-16)15-9-18(28)27(19(15)29)13-3-5-14(6-4-13)32-21(22,23)24/h2-8,15H,9-11H2,1H3,(H,25,33)
InChIKey QCQBJJAHYRFXGM-UHFFFAOYSA-N
Mol Weight 481.45 g/mol
Molecular Formula C21H18F3N3O5S
Exact Mass 481.091926 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IsMAUCQd1kR
Name thiourea, N-(1,3-benzodioxol-5-ylmethyl)-N-[2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-3-pyrrolidinyl]-N'-methyl-
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/C21H18F3N3O5S/c1-25-20(33)26(10-12-2-7-16-17(8-12)31-11-30-16)15-9-18(28)27(19(15)29)13-3-5-14(6-4-13)32-21(22,23)24/h2-8,15H,9-11H2,1H3,(H,25,33)
InChIKey QCQBJJAHYRFXGM-UHFFFAOYSA-N
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Origin 1H_CB_8313_5834
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/9296427; Labnumber: PE/9042994