| SpectraBase Compound ID | Bb4iMZ0bT02 |
|---|---|
| InChI | InChI=1S/C12H11F3O4/c1-2-18-10(16)8-3-5-9(6-4-8)11(17)19-7-12(13,14)15/h3-6H,2,7H2,1H3 |
| InChIKey | XWBHWGYGXXCNBS-UHFFFAOYSA-N |
| Mol Weight | 276.21 g/mol |
| Molecular Formula | C12H11F3O4 |
| Exact Mass | 276.060943 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ClIYV1NcQBT |
|---|---|
| Name | Terephthalic acid, ethyl 2,2,2-trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.060943319 u |
| Formula | C12H11F3O4 |
| InChI | InChI=1S/C12H11F3O4/c1-2-18-10(16)8-3-5-9(6-4-8)11(17)19-7-12(13,14)15/h3-6H,2,7H2,1H3 |
| InChIKey | XWBHWGYGXXCNBS-UHFFFAOYSA-N |
| Molecular Weight | 276.211 g/mol |
| SMILES | C1=CC(=CC=C1C(OCC(F)(F)F)=O)C(OCC)=O |