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3-thiophenecarboxylic acid, 2-[[4-(2,4-dichlorophenoxy)-1-oxobutyl]amino]-5-[[(2-fluorophenyl)amino]carbonyl]-4-methyl-, ethyl ester

View entire compound with spectra: 1 NMR

3-thiophenecarboxylic acid, 2-[[4-(2,4-dichlorophenoxy)-1-oxobutyl]amino]-5-[[(2-fluorophenyl)amino]carbonyl]-4-methyl-, ethyl ester
SpectraBase Compound ID FMDVDuzHUMx
InChI InChI=1S/C25H23Cl2FN2O5S/c1-3-34-25(33)21-14(2)22(23(32)29-18-8-5-4-7-17(18)28)36-24(21)30-20(31)9-6-12-35-19-11-10-15(26)13-16(19)27/h4-5,7-8,10-11,13H,3,6,9,12H2,1-2H3,(H,29,32)(H,30,31)
InChIKey VRADUIKEIQHOPU-UHFFFAOYSA-N
Mol Weight 553.43 g/mol
Molecular Formula C25H23Cl2FN2O5S
Exact Mass 552.068877 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 50zGD8KBTpQ
Name 3-thiophenecarboxylic acid, 2-[[4-(2,4-dichlorophenoxy)-1-oxobutyl]amino]-5-[[(2-fluorophenyl)amino]carbonyl]-4-methyl-, 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 552.068876581 u
Formula C25H23Cl2FN2O5S
InChI InChI=1S/C25H23Cl2FN2O5S/c1-3-34-25(33)21-14(2)22(23(32)29-18-8-5-4-7-17(18)28)36-24(21)30-20(31)9-6-12-35-19-11-10-15(26)13-16(19)27/h4-5,7-8,10-11,13H,3,6,9,12H2,1-2H3,(H,29,32)(H,30,31)
InChIKey VRADUIKEIQHOPU-UHFFFAOYSA-N
Molecular Weight 553.432 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6743
Solvent DMSO-d6
Source Vendor ID: NMR/10220360; Lab Info: SAS; Lab Number: SAS-tst3349
Temperature 29.85 °C