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

View entire compound with spectra: 1 NMR

benzoic acid, 4-[3-[3-(4-methyl-1-piperazinyl)propyl]-5-oxo-4-[2-oxo-2-[(4-propoxyphenyl)amino]ethyl]-2-thioxo-1-imidazolidinyl]-, ethyl ester
SpectraBase Compound ID Fet3CBaHu6c
InChI InChI=1S/C31H41N5O5S/c1-4-21-41-26-13-9-24(10-14-26)32-28(37)22-27-29(38)36(25-11-7-23(8-12-25)30(39)40-5-2)31(42)35(27)16-6-15-34-19-17-33(3)18-20-34/h7-14,27H,4-6,15-22H2,1-3H3,(H,32,37)
InChIKey XGQVDPGIVSTFAA-UHFFFAOYSA-N
Mol Weight 595.8 g/mol
Molecular Formula C31H41N5O5S
Exact Mass 595.282841 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5PIgjGRVvXT
Name benzoic acid, 4-[3-[3-(4-methyl-1-piperazinyl)propyl]-5-oxo-4-[2-oxo-2-[(4-propoxyphenyl)amino]ethyl]-2-thioxo-1-imidazolidinyl]-, 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/C31H41N5O5S/c1-4-21-41-26-13-9-24(10-14-26)32-28(37)22-27-29(38)36(25-11-7-23(8-12-25)30(39)40-5-2)31(42)35(27)16-6-15-34-19-17-33(3)18-20-34/h7-14,27H,4-6,15-22H2,1-3H3,(H,32,37)
InChIKey XGQVDPGIVSTFAA-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_6773
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/12228012