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4-(3-chloro-4-fluoroanilino)-2,5-dihydro-3-thiophenecarboxylic acid, methyl ester

View entire compound with spectra: 3 NMR, and 1 FTIR

4-(3-chloro-4-fluoroanilino)-2,5-dihydro-3-thiophenecarboxylic acid, methyl ester
SpectraBase Compound ID 8D17NojN3bR
InChI InChI=1S/C12H11ClFNO2S/c1-17-12(16)8-5-18-6-11(8)15-7-2-3-10(14)9(13)4-7/h2-4,15H,5-6H2,1H3
InChIKey WVWGKQMLJDRZEV-UHFFFAOYSA-N
Mol Weight 287.74 g/mol
Molecular Formula C12H11ClFNO2S
Exact Mass 287.018306 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8wExEixJEC0
Name 4-(3-CHLORO-4-FLUOROANILINO)-2,5-DIHYDRO-3-THIOPHENECARBOXYLIC ACID, METHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11ClFNO2S
InChI InChI=1S/C12H11ClFNO2S/c1-17-12(16)8-5-18-6-11(8)15-7-2-3-10(14)9(13)4-7/h2-4,15H,5-6H2,1H3
InChIKey WVWGKQMLJDRZEV-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 94-95C
Molecular Weight 287.74
Solvent CDCl3; Reference=TMS; Temperature 297K