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3-thiophenecarboxylic acid, 5-[[[2-chloro-5-(trifluoromethyl)phenyl]amino]carbonyl]-2-[[(4-methoxyphenyl)acetyl]amino]-4-

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3-thiophenecarboxylic acid, 5-[[[2-chloro-5-(trifluoromethyl)phenyl]amino]carbonyl]-2-[[(4-methoxyphenyl)acetyl]amino]-4-
SpectraBase Compound ID B7G4zmF4UNS
InChI InChI=1S/C25H22ClF3N2O5S/c1-4-36-24(34)20-13(2)21(22(33)30-18-12-15(25(27,28)29)7-10-17(18)26)37-23(20)31-19(32)11-14-5-8-16(35-3)9-6-14/h5-10,12H,4,11H2,1-3H3,(H,30,33)(H,31,32)
InChIKey MGOGUTRRYUJLIP-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 1vb3K96oVQ
Name 3-thiophenecarboxylic acid, 5-[[[2-chloro-5-(trifluoromethyl)phenyl]amino]carbonyl]-2-[[(4-methoxyphenyl)acetyl]amino]-4-
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/c1-4-36-24(34)20-13(2)21(22(33)30-18-12-15(25(27,28)29)7-10-17(18)26)37-23(20)31-19(32)11-14-5-8-16(35-3)9-6-14/h5-10,12H,4,11H2,1-3H3,(H,30,33)(H,31,32)
InChIKey MGOGUTRRYUJLIP-UHFFFAOYSA-N
Molecular Weight 554.968 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8049
Solvent DMSO-d6
Source Vendor ID: NMR/9290434; Lab Info: SAS; Lab Number: SAS-TST2829
Temperature 29.85 °C