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1-[4-(hexyloxy)phenyl]-2,5-dioxo-3-pyrrolidinyl N'-(4-chlorophenyl)-N-(4-methoxybenzyl)imidothiocarbamate

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1-[4-(hexyloxy)phenyl]-2,5-dioxo-3-pyrrolidinyl N'-(4-chlorophenyl)-N-(4-methoxybenzyl)imidothiocarbamate
SpectraBase Compound ID 7NZsG3Bxadm
InChI InChI=1S/C31H34ClN3O4S/c1-3-4-5-6-19-39-27-17-13-25(14-18-27)35-29(36)20-28(30(35)37)40-31(34-24-11-9-23(32)10-12-24)33-21-22-7-15-26(38-2)16-8-22/h7-18,28H,3-6,19-21H2,1-2H3,(H,33,34)
InChIKey LQWIVPLNKZUPEO-UHFFFAOYSA-N
Mol Weight 580.1 g/mol
Molecular Formula C31H34ClN3O4S
Exact Mass 579.195855 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1k7KqRn7opi
Name 1-[4-(hexyloxy)phenyl]-2,5-dioxo-3-pyrrolidinyl N'-(4-chlorophenyl)-N-(4-methoxybenzyl)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/C31H34ClN3O4S/c1-3-4-5-6-19-39-27-17-13-25(14-18-27)35-29(36)20-28(30(35)37)40-31(34-24-11-9-23(32)10-12-24)33-21-22-7-15-26(38-2)16-8-22/h7-18,28H,3-6,19-21H2,1-2H3,(H,33,34)
InChIKey LQWIVPLNKZUPEO-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_669
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/8160955; Labnumber: PE-0005091