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ethyl 4-[({3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-thioxo-1-[3-(trifluoromethyl)phenyl]-4-imidazolidinyl}acetyl)amino]benzoate
SpectraBase Compound ID 4zTLaNdR3E
InChI InChI=1S/C30H28F3N3O5S/c1-3-41-28(39)20-9-11-22(12-10-20)34-26(37)18-25-27(38)36(23-6-4-5-21(17-23)30(31,32)33)29(42)35(25)16-15-19-7-13-24(40-2)14-8-19/h4-14,17,25H,3,15-16,18H2,1-2H3,(H,34,37)
InChIKey CKPCEVXIKDDGGY-UHFFFAOYSA-N
Mol Weight 599.63 g/mol
Molecular Formula C30H28F3N3O5S
Exact Mass 599.170177 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8hiOfST3pRj
Name ethyl 4-[({3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-thioxo-1-[3-(trifluoromethyl)phenyl]-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/C30H28F3N3O5S/c1-3-41-28(39)20-9-11-22(12-10-20)34-26(37)18-25-27(38)36(23-6-4-5-21(17-23)30(31,32)33)29(42)35(25)16-15-19-7-13-24(40-2)14-8-19/h4-14,17,25H,3,15-16,18H2,1-2H3,(H,34,37)
InChIKey CKPCEVXIKDDGGY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2239
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: D02315; Labnumber: MPOL-10146; SBI_ID: SBI-002241
Temperature 318 °C