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

View entire compound with spectra: 1 NMR

3-thiophenecarboxylic acid, 2-[[1-[(4-chlorobenzoyl)amino]-2,2,2-trifluoro-1-(methoxycarbonyl)ethyl]amino]-4-ethyl-5-methyl-, methyl ester
SpectraBase Compound ID DeaM6ftO3ip
InChI InChI=1S/C20H20ClF3N2O5S/c1-5-13-10(2)32-16(14(13)17(28)30-3)26-19(18(29)31-4,20(22,23)24)25-15(27)11-6-8-12(21)9-7-11/h6-9,26H,5H2,1-4H3,(H,25,27)
InChIKey SKPUIXQXNLKBLH-UHFFFAOYSA-N
Mol Weight 492.9 g/mol
Molecular Formula C20H20ClF3N2O5S
Exact Mass 492.073355 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FOnByRDSE2q
Name 3-thiophenecarboxylic acid, 2-[[1-[(4-chlorobenzoyl)amino]-2,2,2-trifluoro-1-(methoxycarbonyl)ethyl]amino]-4-ethyl-5-methyl-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 492.073355110 u
Formula C20H20ClF3N2O5S
InChI InChI=1S/C20H20ClF3N2O5S/c1-5-13-10(2)32-16(14(13)17(28)30-3)26-19(18(29)31-4,20(22,23)24)25-15(27)11-6-8-12(21)9-7-11/h6-9,26H,5H2,1-4H3,(H,25,27)
InChIKey SKPUIXQXNLKBLH-UHFFFAOYSA-N
Molecular Weight 492.897 g/mol
NMR Offset 17.9962
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7761
Solvent CDCl3
Source Vendor ID: NMR/10231161; Lab Info: AU; Lab Number: AU-EC00993
Temperature 23.85 °C