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ethyl 5-{[2-chloro-5-(trifluoromethyl)anilino]carbonyl}-4-methyl-2-[(3-phenylpropanoyl)amino]-3-thiophenecarboxylate
SpectraBase Compound ID Fs0bDD5BpYN
InChI InChI=1S/C25H22ClF3N2O4S/c1-3-35-24(34)20-14(2)21(22(33)30-18-13-16(25(27,28)29)10-11-17(18)26)36-23(20)31-19(32)12-9-15-7-5-4-6-8-15/h4-8,10-11,13H,3,9,12H2,1-2H3,(H,30,33)(H,31,32)
InChIKey IYHWBHPTCPOIEM-UHFFFAOYSA-N
Mol Weight 538.97 g/mol
Molecular Formula C25H22ClF3N2O4S
Exact Mass 538.094091 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EBpOt7pxR6n
Name ethyl 5-{[2-chloro-5-(trifluoromethyl)anilino]carbonyl}-4-methyl-2-[(3-phenylpropanoyl)amino]-3-thiophenecarboxylate
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/C25H22ClF3N2O4S/c1-3-35-24(34)20-14(2)21(22(33)30-18-13-16(25(27,28)29)10-11-17(18)26)36-23(20)31-19(32)12-9-15-7-5-4-6-8-15/h4-8,10-11,13H,3,9,12H2,1-2H3,(H,30,33)(H,31,32)
InChIKey IYHWBHPTCPOIEM-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_1814
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: NMR/9290477; Labnumber: SAS-TST2872
Temperature 297 °C