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benzoic acid, 4-[[[1-(4-chlorophenyl)-3-[3-(4-ethyl-1-piperazinyl)propyl]-5-oxo-2-thioxo-4-imidazolidinyl]acetyl]amino]-, ethyl ester

View entire compound with spectra: 1 NMR

benzoic acid, 4-[[[1-(4-chlorophenyl)-3-[3-(4-ethyl-1-piperazinyl)propyl]-5-oxo-2-thioxo-4-imidazolidinyl]acetyl]amino]-, ethyl ester
SpectraBase Compound ID ERNtGwLKm97
InChI InChI=1S/C29H36ClN5O4S/c1-3-32-16-18-33(19-17-32)14-5-15-34-25(27(37)35(29(34)40)24-12-8-22(30)9-13-24)20-26(36)31-23-10-6-21(7-11-23)28(38)39-4-2/h6-13,25H,3-5,14-20H2,1-2H3,(H,31,36)
InChIKey HGMOWKLJOXFOIV-UHFFFAOYSA-N
Mol Weight 586.2 g/mol
Molecular Formula C29H36ClN5O4S
Exact Mass 585.217654 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6prLT51YnuB
Name benzoic acid, 4-[[[1-(4-chlorophenyl)-3-[3-(4-ethyl-1-piperazinyl)propyl]-5-oxo-2-thioxo-4-imidazolidinyl]acetyl]amino]-, ethyl ester
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/C29H36ClN5O4S/c1-3-32-16-18-33(19-17-32)14-5-15-34-25(27(37)35(29(34)40)24-12-8-22(30)9-13-24)20-26(36)31-23-10-6-21(7-11-23)28(38)39-4-2/h6-13,25H,3-5,14-20H2,1-2H3,(H,31,36)
InChIKey HGMOWKLJOXFOIV-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_6739
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/11328369