| SpectraBase Compound ID | 6cTVYvSgPJp |
|---|---|
| InChI | InChI=1S/C11H11F3O3/c1-16-6-7-17-10(15)8-2-4-9(5-3-8)11(12,13)14/h2-5H,6-7H2,1H3 |
| InChIKey | DEYZXMXCPGUKAW-UHFFFAOYSA-N |
| Mol Weight | 248.2 g/mol |
| Molecular Formula | C11H11F3O3 |
| Exact Mass | 248.066029 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CPyFn5BR5Ak |
|---|---|
| Name | 4-Trifluoromethylbenzoic acid, 2-methoxyethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.066028700 u |
| Formula | C11H11F3O3 |
| InChI | InChI=1S/C11H11F3O3/c1-16-6-7-17-10(15)8-2-4-9(5-3-8)11(12,13)14/h2-5H,6-7H2,1H3 |
| InChIKey | DEYZXMXCPGUKAW-UHFFFAOYSA-N |
| Molecular Weight | 248.201 g/mol |
| SMILES | C(OC)COC(C1=CC=C(C(F)(F)F)C=C1)=O |