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

View entire compound with spectra: 1 NMR

benzoic acid, 4-[5-oxo-4-[2-oxo-2-[(4-propoxyphenyl)amino]ethyl]-3-[3-(4-phenyl-1-piperazinyl)propyl]-2-thioxo-1-imidazolidinyl]-, ethyl ester
SpectraBase Compound ID 98Ug0xYmBPM
InChI InChI=1S/C36H43N5O5S/c1-3-25-46-31-17-13-28(14-18-31)37-33(42)26-32-34(43)41(30-15-11-27(12-16-30)35(44)45-4-2)36(47)40(32)20-8-19-38-21-23-39(24-22-38)29-9-6-5-7-10-29/h5-7,9-18,32H,3-4,8,19-26H2,1-2H3,(H,37,42)
InChIKey AJDHOFHQNNIJHY-UHFFFAOYSA-N
Mol Weight 657.8 g/mol
Molecular Formula C36H43N5O5S
Exact Mass 657.298491 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8rOcoRemjam
Name benzoic acid, 4-[5-oxo-4-[2-oxo-2-[(4-propoxyphenyl)amino]ethyl]-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 657.298490674 u
Formula C36H43N5O5S
InChI InChI=1S/C36H43N5O5S/c1-3-25-46-31-17-13-28(14-18-31)37-33(42)26-32-34(43)41(30-15-11-27(12-16-30)35(44)45-4-2)36(47)40(32)20-8-19-38-21-23-39(24-22-38)29-9-6-5-7-10-29/h5-7,9-18,32H,3-4,8,19-26H2,1-2H3,(H,37,42)
InChIKey AJDHOFHQNNIJHY-UHFFFAOYSA-N
Molecular Weight 657.830 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_495
Solvent DMSO-d6
Source Vendor ID: NMR/13238974