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ethyl 4-[({1-benzyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate
SpectraBase Compound ID KXfUMYGprAo
InChI InChI=1S/C30H31N3O5S/c1-3-38-29(36)23-11-13-24(14-12-23)31-27(34)19-26-28(35)33(20-22-7-5-4-6-8-22)30(39)32(26)18-17-21-9-15-25(37-2)16-10-21/h4-16,26H,3,17-20H2,1-2H3,(H,31,34)
InChIKey CEDNOQXBFSNOMB-UHFFFAOYSA-N
Mol Weight 545.65 g/mol
Molecular Formula C30H31N3O5S
Exact Mass 545.198442 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F4lnelOPwef
Name ethyl 4-[({1-benzyl-3-[2-(4-methoxyphenyl)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/C30H31N3O5S/c1-3-38-29(36)23-11-13-24(14-12-23)31-27(34)19-26-28(35)33(20-22-7-5-4-6-8-22)30(39)32(26)18-17-21-9-15-25(37-2)16-10-21/h4-16,26H,3,17-20H2,1-2H3,(H,31,34)
InChIKey CEDNOQXBFSNOMB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2244
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: D02320; Labnumber: MPOL-10176; SBI_ID: SBI-002246
Temperature 318 °C