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ethyl 4-[({1-(4-methylphenyl)-3-[3-(4-methyl-1-piperazinyl)propyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate
SpectraBase Compound ID KHYgcoGzXhZ
InChI InChI=1S/C29H37N5O4S/c1-4-38-28(37)22-8-10-23(11-9-22)30-26(35)20-25-27(36)34(24-12-6-21(2)7-13-24)29(39)33(25)15-5-14-32-18-16-31(3)17-19-32/h6-13,25H,4-5,14-20H2,1-3H3,(H,30,35)
InChIKey MHBOKXPVWZSJJE-UHFFFAOYSA-N
Mol Weight 551.7 g/mol
Molecular Formula C29H37N5O4S
Exact Mass 551.256626 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JUtOgrgx2dP
Name ethyl 4-[({1-(4-methylphenyl)-3-[3-(4-methyl-1-piperazinyl)propyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]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 551.256625861 u
Formula C29H37N5O4S
InChI InChI=1S/C29H37N5O4S/c1-4-38-28(37)22-8-10-23(11-9-22)30-26(35)20-25-27(36)34(24-12-6-21(2)7-13-24)29(39)33(25)15-5-14-32-18-16-31(3)17-19-32/h6-13,25H,4-5,14-20H2,1-3H3,(H,30,35)
InChIKey MHBOKXPVWZSJJE-UHFFFAOYSA-N
Molecular Weight 551.706 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_2494
Solvent DMSO-d6
Source Vendor ID: NMR/12279536