| SpectraBase Compound ID | 4RdJ2gQbp44 |
|---|---|
| InChI | InChI=1S/C20H27F3O4/c1-2-3-4-5-6-7-8-9-14-26-18(24)16-10-12-17(13-11-16)19(25)27-15-20(21,22)23/h10-13H,2-9,14-15H2,1H3 |
| InChIKey | KWBQMTHFJVMENH-UHFFFAOYSA-N |
| Mol Weight | 388.43 g/mol |
| Molecular Formula | C20H27F3O4 |
| Exact Mass | 388.186144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L2zYxBsYD1H |
|---|---|
| Name | Terephthalic acid, decyl 2,2,2-trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.186143834 u |
| Formula | C20H27F3O4 |
| InChI | InChI=1S/C20H27F3O4/c1-2-3-4-5-6-7-8-9-14-26-18(24)16-10-12-17(13-11-16)19(25)27-15-20(21,22)23/h10-13H,2-9,14-15H2,1H3 |
| InChIKey | KWBQMTHFJVMENH-UHFFFAOYSA-N |
| Molecular Weight | 388.427 g/mol |
| SMILES | C1=CC(=CC=C1C(OCC(F)(F)F)=O)C(OCCCCCCCCCC)=O |