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ethyl 4-[({5-oxo-3-(2-phenylethyl)-2-thioxo-1-[3-(trifluoromethyl)phenyl]-4-imidazolidinyl}acetyl)amino]benzoate
SpectraBase Compound ID 6CTMMim9gs7
InChI InChI=1S/C29H26F3N3O4S/c1-2-39-27(38)20-11-13-22(14-12-20)33-25(36)18-24-26(37)35(23-10-6-9-21(17-23)29(30,31)32)28(40)34(24)16-15-19-7-4-3-5-8-19/h3-14,17,24H,2,15-16,18H2,1H3,(H,33,36)
InChIKey PMVXCTYVGMLCMJ-UHFFFAOYSA-N
Mol Weight 569.6 g/mol
Molecular Formula C29H26F3N3O4S
Exact Mass 569.159612 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CAfXB8DkHSt
Name ethyl 4-[({5-oxo-3-(2-phenylethyl)-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/C29H26F3N3O4S/c1-2-39-27(38)20-11-13-22(14-12-20)33-25(36)18-24-26(37)35(23-10-6-9-21(17-23)29(30,31)32)28(40)34(24)16-15-19-7-4-3-5-8-19/h3-14,17,24H,2,15-16,18H2,1H3,(H,33,36)
InChIKey PMVXCTYVGMLCMJ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2224
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: D02300; Labnumber: MPOL-10026; SBI_ID: SBI-002226
Temperature 318 °C