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ethyl 4-{4-[2-(4-methoxyanilino)-2-oxoethyl]-3-[2-(4-methyl-1-piperazinyl)ethyl]-5-oxo-2-thioxo-1-imidazolidinyl}benzoate

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ethyl 4-{4-[2-(4-methoxyanilino)-2-oxoethyl]-3-[2-(4-methyl-1-piperazinyl)ethyl]-5-oxo-2-thioxo-1-imidazolidinyl}benzoate
SpectraBase Compound ID 8ed7xypcRqD
InChI InChI=1S/C28H35N5O5S/c1-4-38-27(36)20-5-9-22(10-6-20)33-26(35)24(19-25(34)29-21-7-11-23(37-3)12-8-21)32(28(33)39)18-17-31-15-13-30(2)14-16-31/h5-12,24H,4,13-19H2,1-3H3,(H,29,34)
InChIKey QAUPKFUPKHEVIJ-UHFFFAOYSA-N
Mol Weight 553.7 g/mol
Molecular Formula C28H35N5O5S
Exact Mass 553.23589 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CB3H1UpvSii
Name ethyl 4-{4-[2-(4-methoxyanilino)-2-oxoethyl]-3-[2-(4-methyl-1-piperazinyl)ethyl]-5-oxo-2-thioxo-1-imidazolidinyl}benzoate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 553.235890416 u
Formula C28H35N5O5S
InChI InChI=1S/C28H35N5O5S/c1-4-38-27(36)20-5-9-22(10-6-20)33-26(35)24(19-25(34)29-21-7-11-23(37-3)12-8-21)32(28(33)39)18-17-31-15-13-30(2)14-16-31/h5-12,24H,4,13-19H2,1-3H3,(H,29,34)
InChIKey QAUPKFUPKHEVIJ-UHFFFAOYSA-N
Molecular Weight 553.678 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_2476
Solvent DMSO-d6
Source Vendor ID: NMR/12279518