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ethyl 4-[({1-(4-ethoxyphenyl)-3-[3-(4-methyl-1-piperazinyl)propyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate
SpectraBase Compound ID INZSW7vl5Il
InChI InChI=1S/C30H39N5O5S/c1-4-39-25-13-11-24(12-14-25)35-28(37)26(34(30(35)41)16-6-15-33-19-17-32(3)18-20-33)21-27(36)31-23-9-7-22(8-10-23)29(38)40-5-2/h7-14,26H,4-6,15-21H2,1-3H3,(H,31,36)
InChIKey BLVNTILSFRNBIZ-UHFFFAOYSA-N
Mol Weight 581.7 g/mol
Molecular Formula C30H39N5O5S
Exact Mass 581.267191 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L0Uwy4gSTRH
Name ethyl 4-[({1-(4-ethoxyphenyl)-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 581.267190545 u
Formula C30H39N5O5S
InChI InChI=1S/C30H39N5O5S/c1-4-39-25-13-11-24(12-14-25)35-28(37)26(34(30(35)41)16-6-15-33-19-17-32(3)18-20-33)21-27(36)31-23-9-7-22(8-10-23)29(38)40-5-2/h7-14,26H,4-6,15-21H2,1-3H3,(H,31,36)
InChIKey BLVNTILSFRNBIZ-UHFFFAOYSA-N
Molecular Weight 581.732 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_2493
Solvent DMSO-d6
Source Vendor ID: NMR/12279535