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N-(1-{4-[chloro(difluoro)methoxy]phenyl}-2,5-dioxo-3-pyrrolidinyl)-N'-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]thiourea
SpectraBase Compound ID OvR26FtxbJ
InChI InChI=1S/C27H23ClF3N3O4S/c1-37-21-10-2-17(3-11-21)14-15-33(26(39)32-19-6-4-18(29)5-7-19)23-16-24(35)34(25(23)36)20-8-12-22(13-9-20)38-27(28,30)31/h2-13,23H,14-16H2,1H3,(H,32,39)
InChIKey HZHFOKITTCUHGU-UHFFFAOYSA-N
Mol Weight 578.01 g/mol
Molecular Formula C27H23ClF3N3O4S
Exact Mass 577.10499 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E518L7DsOiM
Name N-(1-{4-[chloro(difluoro)methoxy]phenyl}-2,5-dioxo-3-pyrrolidinyl)-N'-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]thiourea
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/C27H23ClF3N3O4S/c1-37-21-10-2-17(3-11-21)14-15-33(26(39)32-19-6-4-18(29)5-7-19)23-16-24(35)34(25(23)36)20-8-12-22(13-9-20)38-27(28,30)31/h2-13,23H,14-16H2,1H3,(H,32,39)
InChIKey HZHFOKITTCUHGU-UHFFFAOYSA-N
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Origin 1H_ASIOH_7529_2123
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/9296348; Labnumber: PE/9044778