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3-thiophenecarboxylic acid, 5-[[(2-fluorophenyl)amino]carbonyl]-4-methyl-2-[(phenoxyacetyl)amino]-, ethyl ester
SpectraBase Compound ID IlGEll7Kg6k
InChI InChI=1S/C23H21FN2O5S/c1-3-30-23(29)19-14(2)20(21(28)25-17-12-8-7-11-16(17)24)32-22(19)26-18(27)13-31-15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3,(H,25,28)(H,26,27)
InChIKey SZLAAOREKDPYSE-UHFFFAOYSA-N
Mol Weight 456.49 g/mol
Molecular Formula C23H21FN2O5S
Exact Mass 456.115521 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1WBSkrSJ6gc
Name 3-thiophenecarboxylic acid, 5-[[(2-fluorophenyl)amino]carbonyl]-4-methyl-2-[(phenoxyacetyl)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 456.115521116 u
Formula C23H21FN2O5S
InChI InChI=1S/C23H21FN2O5S/c1-3-30-23(29)19-14(2)20(21(28)25-17-12-8-7-11-16(17)24)32-22(19)26-18(27)13-31-15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3,(H,25,28)(H,26,27)
InChIKey SZLAAOREKDPYSE-UHFFFAOYSA-N
Molecular Weight 456.488 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8224
Solvent DMSO-d6
Source Vendor ID: NMR/9254458; Lab Info: SAS; Lab Number: SAS-TST2108
Temperature 29.85 °C