| SpectraBase Compound ID | Av5pigG8qQv |
|---|---|
| InChI | InChI=1S/C13H13F3O3/c14-13(15,16)11-6-2-1-5-10(11)12(17)19-8-9-4-3-7-18-9/h1-2,5-6,9H,3-4,7-8H2 |
| InChIKey | BXVCOVLJCYLWAW-UHFFFAOYSA-N |
| Mol Weight | 274.24 g/mol |
| Molecular Formula | C13H13F3O3 |
| Exact Mass | 274.081679 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | F4iDihHFJHi |
|---|---|
| Name | 2-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)11-6-2-1-5-10(11)12(17)19-8-9-4-3-7-18-9/h1-2,5-6,9H,3-4,7-8H2 |
| InChIKey | BXVCOVLJCYLWAW-UHFFFAOYSA-N |
| Molecular Weight | 274.239 g/mol |
| SMILES | C1(OCCC1)COC(C=1C=CC=CC1C(F)(F)F)=O |