| SpectraBase Compound ID | LLMxVkXXSpI |
|---|---|
| InChI | InChI=1S/C12H13F3O3/c1-2-17-7-8-18-11(16)9-3-5-10(6-4-9)12(13,14)15/h3-6H,2,7-8H2,1H3 |
| InChIKey | JHIIISBKPVMIRV-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 | 5kfP5oPBa3s |
|---|---|
| Name | 4-Trifluoromethylbenzoic acid, 2-ethoxyethyl 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/c1-2-17-7-8-18-11(16)9-3-5-10(6-4-9)12(13,14)15/h3-6H,2,7-8H2,1H3 |
| InChIKey | JHIIISBKPVMIRV-UHFFFAOYSA-N |
| Molecular Weight | 262.228 g/mol |
| SMILES | C(C)OCCOC(C1=CC=C(C(F)(F)F)C=C1)=O |