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3-[(2-carboxy-3-oxo-4,4,4-trifluoro-1-butenyl)amino]-2-thiophenecarboxylic acid, 3-ethyl 2-methyl ester

View entire compound with spectra: 2 NMR, and 1 FTIR

3-[(2-carboxy-3-oxo-4,4,4-trifluoro-1-butenyl)amino]-2-thiophenecarboxylic acid, 3-ethyl 2-methyl ester
SpectraBase Compound ID 9FyamNLIxRr
InChI InChI=1S/C13H12F3NO5S/c1-3-22-11(19)7(10(18)13(14,15)16)6-17-8-4-5-23-9(8)12(20)21-2/h4-6,17H,3H2,1-2H3
InChIKey XKTWHVIRYZPWPR-UHFFFAOYSA-N
Mol Weight 351.3 g/mol
Molecular Formula C13H12F3NO5S
Exact Mass 351.038828 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LpNxvSTrevj
Name 3-[(2-CARBOXY-3-OXO-4,4,4-TRIFLUORO-1-BUTENYL)AMINO]-2-THIOPHENECARBOXYLIC ACID, 3-ETHYL 2-METHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12F3NO5S
InChI InChI=1S/C13H12F3NO5S/c1-3-22-11(19)7(10(18)13(14,15)16)6-17-8-4-5-23-9(8)12(20)21-2/h4-6,17H,3H2,1-2H3
InChIKey XKTWHVIRYZPWPR-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 351.30
Solvent CDCl3; Reference=TMS; Temperature 297K