| SpectraBase Compound ID | 251MJYtaf5 |
|---|---|
| InChI | InChI=1S/C13H13F3O4/c1-2-7-19-11(17)9-3-5-10(6-4-9)12(18)20-8-13(14,15)16/h3-6H,2,7-8H2,1H3 |
| InChIKey | RYGTWOAJGSSVDU-UHFFFAOYSA-N |
| Mol Weight | 290.24 g/mol |
| Molecular Formula | C13H13F3O4 |
| Exact Mass | 290.076593 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AkT1HUzwTUz |
|---|---|
| Name | Terephthalic acid, propyl 2,2,2-trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.076593384 u |
| Formula | C13H13F3O4 |
| InChI | InChI=1S/C13H13F3O4/c1-2-7-19-11(17)9-3-5-10(6-4-9)12(18)20-8-13(14,15)16/h3-6H,2,7-8H2,1H3 |
| InChIKey | RYGTWOAJGSSVDU-UHFFFAOYSA-N |
| Molecular Weight | 290.238 g/mol |
| SMILES | C1=CC(=CC=C1C(OCC(F)(F)F)=O)C(OCCC)=O |