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methyl 4-({[3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxo-4-imidazolidinyl]acetyl}amino)benzoate
SpectraBase Compound ID 6OHnygpP0jn
InChI InChI=1S/C29H28ClN3O4S/c1-37-28(36)22-9-13-24(14-10-22)31-26(34)19-25-27(35)33(18-16-20-5-3-2-4-6-20)29(38)32(25)17-15-21-7-11-23(30)12-8-21/h2-14,25H,15-19H2,1H3,(H,31,34)
InChIKey OPMPRVXDPUKFFB-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 KiLWIf7Jb6d
Name methyl 4-({[3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-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/c1-37-28(36)22-9-13-24(14-10-22)31-26(34)19-25-27(35)33(18-16-20-5-3-2-4-6-20)29(38)32(25)17-15-21-7-11-23(30)12-8-21/h2-14,25H,15-19H2,1H3,(H,31,34)
InChIKey OPMPRVXDPUKFFB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2279
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: D02355; Labnumber: MPOL-10545; SBI_ID: SBI-002281
Temperature 318 °C