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ethyl 4-[({1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate
SpectraBase Compound ID B5IjLUtbiZq
InChI InChI=1S/C31H33N3O6S/c1-4-40-30(37)23-11-13-24(14-12-23)32-28(35)19-25-29(36)34(20-22-8-6-5-7-9-22)31(41)33(25)17-16-21-10-15-26(38-2)27(18-21)39-3/h5-15,18,25H,4,16-17,19-20H2,1-3H3,(H,32,35)
InChIKey AJKVLGQFNLOEHP-UHFFFAOYSA-N
Mol Weight 575.7 g/mol
Molecular Formula C31H33N3O6S
Exact Mass 575.209007 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DG2lHDlAqJL
Name ethyl 4-[({1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C31H33N3O6S/c1-4-40-30(37)23-11-13-24(14-12-23)32-28(35)19-25-29(36)34(20-22-8-6-5-7-9-22)31(41)33(25)17-16-21-10-15-26(38-2)27(18-21)39-3/h5-15,18,25H,4,16-17,19-20H2,1-3H3,(H,32,35)
InChIKey AJKVLGQFNLOEHP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2246
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D02322; Labnumber: MPOL-10236; SBI_ID: SBI-002248
Temperature 318 °C