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3-Thiophenecarboxylic acid, 2-[[1-[(2,4-dichlorobenzoyl)amino]-2,2,2-trifluoro-1-(methoxycarbonyl)ethyl]amino]-4-ethyl-5-methyl-, methyl ester

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3-Thiophenecarboxylic acid, 2-[[1-[(2,4-dichlorobenzoyl)amino]-2,2,2-trifluoro-1-(methoxycarbonyl)ethyl]amino]-4-ethyl-5-methyl-, methyl ester
SpectraBase Compound ID 2IjJZQJHT8V
InChI InChI=1S/C20H19Cl2F3N2O5S/c1-5-11-9(2)33-16(14(11)17(29)31-3)27-19(18(30)32-4,20(23,24)25)26-15(28)12-7-6-10(21)8-13(12)22/h6-8,27H,5H2,1-4H3,(H,26,28)
InChIKey WRWOHHIKBDDLAE-UHFFFAOYSA-N
Mol Weight 527.34 g/mol
Molecular Formula C20H19Cl2F3N2O5S
Exact Mass 526.034383 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GkMO3AaKr7b
Name methyl 2-{[1-[(2,4-dichlorobenzoyl)amino]-2,2,2-trifluoro-1-(methoxycarbonyl)ethyl]amino}-4-ethyl-5-methyl-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/C20H19Cl2F3N2O5S/c1-5-11-9(2)33-16(14(11)17(29)31-3)27-19(18(30)32-4,20(23,24)25)26-15(28)12-7-6-10(21)8-13(12)22/h6-8,27H,5H2,1-4H3,(H,26,28)
InChIKey WRWOHHIKBDDLAE-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_457
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: C27171; Labnumber: SOK-1100; SBI_ID: SBI-000459
Temperature 308 °C