![Methyl 3-[(trifluoroacetyl)amino]-2-thiophenecarboxylate](/api/spectrum/B2kpyrHzXxJ/structure.png?h=300&w=458 "Methyl 3-[(trifluoroacetyl)amino]-2-thiophenecarboxylate")
| SpectraBase Compound ID | C1Iau6E12v |
|---|---|
| InChI | InChI=1S/C8H6F3NO3S/c1-15-6(13)5-4(2-3-16-5)12-7(14)8(9,10)11/h2-3H,1H3,(H,12,14) |
| InChIKey | CJNCTQZMIQZVQQ-UHFFFAOYSA-N |
| Mol Weight | 253.2 g/mol |
| Molecular Formula | C8H6F3NO3S |
| Exact Mass | 253.002049 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B2kpyrHzXxJ |
|---|---|
| Name | Methyl 3-[(trifluoroacetyl)amino]-2-thiophenecarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.002048717 u |
| Formula | C8H6F3NO3S |
| InChI | InChI=1S/C8H6F3NO3S/c1-15-6(13)5-4(2-3-16-5)12-7(14)8(9,10)11/h2-3H,1H3,(H,12,14) |
| InChIKey | CJNCTQZMIQZVQQ-UHFFFAOYSA-N |
| Molecular Weight | 253.195 g/mol |
| SMILES | C(F)(F)(F)C(=O)NC1=C(SC=C1)C(=O)OC |