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ethyl 4-[({1-benzyl-3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate
SpectraBase Compound ID Je9WkMWftJJ
InChI InChI=1S/C29H28ClN3O4S/c1-2-37-28(36)22-10-14-24(15-11-22)31-26(34)18-25-27(35)33(19-21-6-4-3-5-7-21)29(38)32(25)17-16-20-8-12-23(30)13-9-20/h3-15,25H,2,16-19H2,1H3,(H,31,34)
InChIKey APYMXHDLOIFKQM-UHFFFAOYSA-N
Mol Weight 550.07 g/mol
Molecular Formula C29H28ClN3O4S
Exact Mass 549.148905 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FGSXAp968Yt
Name ethyl 4-[({1-benzyl-3-[2-(4-chlorophenyl)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/C29H28ClN3O4S/c1-2-37-28(36)22-10-14-24(15-11-22)31-26(34)18-25-27(35)33(19-21-6-4-3-5-7-21)29(38)32(25)17-16-20-8-12-23(30)13-9-20/h3-15,25H,2,16-19H2,1H3,(H,31,34)
InChIKey APYMXHDLOIFKQM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2277
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: D02353; Labnumber: MPOL-10536; SBI_ID: SBI-002279
Temperature 318 °C