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

View entire compound with spectra: 1 NMR

3-thiophenecarboxylic acid, 5-ethyl-4-phenyl-2-[[2,2,2-trifluoro-1-(methoxycarbonyl)-1-[(3-methylbenzoyl)amino]ethyl]amino]-, ethyl ester
SpectraBase Compound ID FzuLiluRwX7
InChI InChI=1S/C27H27F3N2O5S/c1-5-19-20(17-12-8-7-9-13-17)21(24(34)37-6-2)23(38-19)32-26(25(35)36-4,27(28,29)30)31-22(33)18-14-10-11-16(3)15-18/h7-15,32H,5-6H2,1-4H3,(H,31,33)
InChIKey QRJJNGNPHSZTCX-UHFFFAOYSA-N
Mol Weight 548.58 g/mol
Molecular Formula C27H27F3N2O5S
Exact Mass 548.159278 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1p6wvjhPSRA
Name 3-thiophenecarboxylic acid, 5-ethyl-4-phenyl-2-[[2,2,2-trifluoro-1-(methoxycarbonyl)-1-[(3-methylbenzoyl)amino]ethyl]amino]-, ethyl 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 548.159277635 u
Formula C27H27F3N2O5S
InChI InChI=1S/C27H27F3N2O5S/c1-5-19-20(17-12-8-7-9-13-17)21(24(34)37-6-2)23(38-19)32-26(25(35)36-4,27(28,29)30)31-22(33)18-14-10-11-16(3)15-18/h7-15,32H,5-6H2,1-4H3,(H,31,33)
InChIKey QRJJNGNPHSZTCX-UHFFFAOYSA-N
Molecular Weight 548.577 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13506
Solvent DMSO-d6
Source Vendor ID: NMR/10260737; Lab Info: AU; Lab Number: AU-0000064