| SpectraBase Compound ID | EgkNt5BRYIn |
|---|---|
| InChI | InChI=1S/C13H13F3O3/c14-13(15,16)10-4-1-3-9(7-10)12(17)19-8-11-5-2-6-18-11/h1,3-4,7,11H,2,5-6,8H2 |
| InChIKey | FKFFDFGGUQNJPK-UHFFFAOYSA-N |
| Mol Weight | 274.24 g/mol |
| Molecular Formula | C13H13F3O3 |
| Exact Mass | 274.081679 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2UkbHUZpDIr |
|---|---|
| Name | 3-Trifluoromethylbenzoic acid, 2-tetrahydrofurylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.081678765 u |
| Formula | C13H13F3O3 |
| InChI | InChI=1S/C13H13F3O3/c14-13(15,16)10-4-1-3-9(7-10)12(17)19-8-11-5-2-6-18-11/h1,3-4,7,11H,2,5-6,8H2 |
| InChIKey | FKFFDFGGUQNJPK-UHFFFAOYSA-N |
| Molecular Weight | 274.239 g/mol |
| SMILES | C1=CC(C(OCC2OCCC2)=O)=CC(=C1)C(F)(F)F |