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3-thiophenecarboxylic acid, 2-[(2,4-dichlorobenzoyl)amino]-5-[[(2-fluorophenyl)amino]carbonyl]-4-methyl-, ethyl ester
SpectraBase Compound ID CcwKICttqCb
InChI InChI=1S/C22H17Cl2FN2O4S/c1-3-31-22(30)17-11(2)18(20(29)26-16-7-5-4-6-15(16)25)32-21(17)27-19(28)13-9-8-12(23)10-14(13)24/h4-10H,3H2,1-2H3,(H,26,29)(H,27,28)
InChIKey RTZYOZUYORLUEN-UHFFFAOYSA-N
Mol Weight 495.35 g/mol
Molecular Formula C22H17Cl2FN2O4S
Exact Mass 494.027012 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EtHcREwtIDR
Name 3-thiophenecarboxylic acid, 2-[(2,4-dichlorobenzoyl)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 494.027011768 u
Formula C22H17Cl2FN2O4S
InChI InChI=1S/C22H17Cl2FN2O4S/c1-3-31-22(30)17-11(2)18(20(29)26-16-7-5-4-6-15(16)25)32-21(17)27-19(28)13-9-8-12(23)10-14(13)24/h4-10H,3H2,1-2H3,(H,26,29)(H,27,28)
InChIKey RTZYOZUYORLUEN-UHFFFAOYSA-N
Molecular Weight 495.352 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8239
Solvent DMSO-d6
Source Vendor ID: NMR/9254611; Lab Info: SAS; Lab Number: SAS-TST2145
Temperature 29.85 °C