| SpectraBase Compound ID | 2kJ9lHPTKbP |
|---|---|
| InChI | InChI=1S/C12H13F3O3/c1-2-17-11(16)10(12(13,14)15)18-8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3 |
| InChIKey | ZPWOTVAZNYRFOM-UHFFFAOYSA-N |
| Mol Weight | 262.23 g/mol |
| Molecular Formula | C12H13F3O3 |
| Exact Mass | 262.081679 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LXQWz570cSz |
|---|---|
| Name | 2-Benzoxy-3,3,3-trifluoro-propionic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.081678765 u |
| Formula | C12H13F3O3 |
| InChI | InChI=1S/C12H13F3O3/c1-2-17-11(16)10(12(13,14)15)18-8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3 |
| InChIKey | ZPWOTVAZNYRFOM-UHFFFAOYSA-N |
| Molecular Weight | 262.228 g/mol |
| SMILES | C(C(F)(F)F)(C(=O)OCC)OCC1=CC=CC=C1 |