![3-[(2-carboxy-3-oxo-4,4,4-trifluoro-1-butenyl)amino]-2-thiophenecarboxylic acid, 3-ethyl 2-methyl ester](/api/spectrum/KFkzcek7ClO/structure.png?h=300&w=458 "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) Chemical Shifts
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| SpectraBase Spectrum ID | KFkzcek7ClO |
|---|---|
| Name | 3-[(2-carboxy-3-oxo-4,4,4-trifluoro-1-butenyl)amino]-2-thiophenecarboxylic acid, 3-ethyl 2-methyl ester |
| Copyright | Copyright © 2009-2024 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 | Varian CFT-20 |
| Sadtler NMR Number | 56614M |
| Solvent | CDCl3 |