| SpectraBase Compound ID | HWTKLtP7sBG |
|---|---|
| InChI | InChI=1S/C15H17F3O4/c1-2-3-4-9-21-13(19)11-5-7-12(8-6-11)14(20)22-10-15(16,17)18/h5-8H,2-4,9-10H2,1H3 |
| InChIKey | UQHZIHSHGMHNKB-UHFFFAOYSA-N |
| Mol Weight | 318.29 g/mol |
| Molecular Formula | C15H17F3O4 |
| Exact Mass | 318.107894 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jh9vb0lBwXY |
|---|---|
| Name | Terephthalic acid, pentyl 2,2,2-trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.107893512 u |
| Formula | C15H17F3O4 |
| InChI | InChI=1S/C15H17F3O4/c1-2-3-4-9-21-13(19)11-5-7-12(8-6-11)14(20)22-10-15(16,17)18/h5-8H,2-4,9-10H2,1H3 |
| InChIKey | UQHZIHSHGMHNKB-UHFFFAOYSA-N |
| Molecular Weight | 318.292 g/mol |
| SMILES | C1=CC(=CC=C1C(OCC(F)(F)F)=O)C(OCCCCC)=O |