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Ethyl 2-[(4-fluorobenzoyl)amino]-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate

View entire compound with spectra: 2 NMR

Ethyl 2-[(4-fluorobenzoyl)amino]-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate
SpectraBase Compound ID LdzX26XCMqn
InChI InChI=1S/C21H17F2NO3S/c1-3-27-21(26)18-17(13-4-8-15(22)9-5-13)12(2)28-20(18)24-19(25)14-6-10-16(23)11-7-14/h4-11H,3H2,1-2H3,(H,24,25)
InChIKey XSUACQGWWJRGCT-UHFFFAOYSA-N
Mol Weight 401.43 g/mol
Molecular Formula C21H17F2NO3S
Exact Mass 401.089721 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ImBaFUrzzBY
Name Ethyl 2-[(4-fluorobenzoyl)amino]-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.089720908 u
Formula C21H17F2NO3S
InChI InChI=1S/C21H17F2NO3S/c1-3-27-21(26)18-17(13-4-8-15(22)9-5-13)12(2)28-20(18)24-19(25)14-6-10-16(23)11-7-14/h4-11H,3H2,1-2H3,(H,24,25)
InChIKey XSUACQGWWJRGCT-UHFFFAOYSA-N
Molecular Weight 401.428 g/mol
SMILES N(C1=C(C(=C(C)S1)C=1C=CC(=CC1)F)C(=O)OCC)C(C1=CC=C(C=C1)F)=O