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3-thiophenecarboxylic acid, 2-[[1-[(4-chlorobenzoyl)amino]-2,2,2-trifluoro-1-(methoxycarbonyl)ethyl]amino]-4-methyl-5-phenyl-, ethyl 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-methyl-5-phenyl-, ethyl ester
SpectraBase Compound ID FfymtT6CAwN
InChI InChI=1S/C25H22ClF3N2O5S/c1-4-36-22(33)18-14(2)19(15-8-6-5-7-9-15)37-21(18)31-24(23(34)35-3,25(27,28)29)30-20(32)16-10-12-17(26)13-11-16/h5-13,31H,4H2,1-3H3,(H,30,32)
InChIKey QTLLJWOULSPZLQ-UHFFFAOYSA-N
Mol Weight 554.97 g/mol
Molecular Formula C25H22ClF3N2O5S
Exact Mass 554.089005 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DJYDB9a5Ad5
Name 3-thiophenecarboxylic acid, 2-[[1-[(4-chlorobenzoyl)amino]-2,2,2-trifluoro-1-(methoxycarbonyl)ethyl]amino]-4-methyl-5-phenyl-, 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 554.089005174 u
Formula C25H22ClF3N2O5S
InChI InChI=1S/C25H22ClF3N2O5S/c1-4-36-22(33)18-14(2)19(15-8-6-5-7-9-15)37-21(18)31-24(23(34)35-3,25(27,28)29)30-20(32)16-10-12-17(26)13-11-16/h5-13,31H,4H2,1-3H3,(H,30,32)
InChIKey QTLLJWOULSPZLQ-UHFFFAOYSA-N
Molecular Weight 554.968 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12217
Solvent DMSO-d6
Source Vendor ID: NMR/10260730; Lab Info: AU; Lab Number: AU-0000057