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N-(4-chlorobenzyl)-N'-ethyl-N-[1-(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]thiourea
SpectraBase Compound ID E5DZZx1wSxb
InChI InChI=1S/C21H22ClN3O3S/c1-3-23-21(29)24(13-14-4-6-15(22)7-5-14)18-12-19(26)25(20(18)27)16-8-10-17(28-2)11-9-16/h4-11,18H,3,12-13H2,1-2H3,(H,23,29)
InChIKey IUPXMNMXOSWGEE-UHFFFAOYSA-N
Mol Weight 431.94 g/mol
Molecular Formula C21H22ClN3O3S
Exact Mass 431.10704 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1H6EE108g1Q
Name N-(4-chlorobenzyl)-N'-ethyl-N-[1-(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]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/C21H22ClN3O3S/c1-3-23-21(29)24(13-14-4-6-15(22)7-5-14)18-12-19(26)25(20(18)27)16-8-10-17(28-2)11-9-16/h4-11,18H,3,12-13H2,1-2H3,(H,23,29)
InChIKey IUPXMNMXOSWGEE-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_148
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/8093444; Labnumber: PE-0004587
Temperature 297 °C