| SpectraBase Compound ID | 6I6XJ2QX2eS |
|---|---|
| InChI | InChI=1S/C10H9F3O2/c1-6-3-7(2)5-8(4-6)15-9(14)10(11,12)13/h3-5H,1-2H3 |
| InChIKey | CDSQTRNMTYWKEC-UHFFFAOYSA-N |
| Mol Weight | 218.18 g/mol |
| Molecular Formula | C10H9F3O2 |
| Exact Mass | 218.055464 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E79DMoHbaZJ |
|---|---|
| Name | 3,5-Dimethylphenyl 2,2,2-trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.055464017 u |
| Formula | C10H9F3O2 |
| InChI | InChI=1S/C10H9F3O2/c1-6-3-7(2)5-8(4-6)15-9(14)10(11,12)13/h3-5H,1-2H3 |
| InChIKey | CDSQTRNMTYWKEC-UHFFFAOYSA-N |
| Molecular Weight | 218.175 g/mol |
| SMILES | C1=C(C=C(C=C1OC(C(F)(F)F)=O)C)C |