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

View entire compound with spectra: 1 NMR

benzoic acid, 4-[4-[2-[(4-ethoxyphenyl)amino]-2-oxoethyl]-5-oxo-3-[3-(4-phenyl-1-piperazinyl)propyl]-2-thioxo-1-imidazolidinyl]-, ethyl ester
SpectraBase Compound ID 7Yk8gNjFbpI
InChI InChI=1S/C35H41N5O5S/c1-3-44-30-17-13-27(14-18-30)36-32(41)25-31-33(42)40(29-15-11-26(12-16-29)34(43)45-4-2)35(46)39(31)20-8-19-37-21-23-38(24-22-37)28-9-6-5-7-10-28/h5-7,9-18,31H,3-4,8,19-25H2,1-2H3,(H,36,41)
InChIKey ZRKGOMXPPPCSKK-UHFFFAOYSA-N
Mol Weight 643.8 g/mol
Molecular Formula C35H41N5O5S
Exact Mass 643.282841 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gq0k8P4dIyo
Name benzoic acid, 4-[4-[2-[(4-ethoxyphenyl)amino]-2-oxoethyl]-5-oxo-3-[3-(4-phenyl-1-piperazinyl)propyl]-2-thioxo-1-imidazolidinyl]-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 643.282840609 u
Formula C35H41N5O5S
InChI InChI=1S/C35H41N5O5S/c1-3-44-30-17-13-27(14-18-30)36-32(41)25-31-33(42)40(29-15-11-26(12-16-29)34(43)45-4-2)35(46)39(31)20-8-19-37-21-23-38(24-22-37)28-9-6-5-7-10-28/h5-7,9-18,31H,3-4,8,19-25H2,1-2H3,(H,36,41)
InChIKey ZRKGOMXPPPCSKK-UHFFFAOYSA-N
Molecular Weight 643.803 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_485
Solvent DMSO-d6
Source Vendor ID: NMR/13238964