| SpectraBase Compound ID | DxJAkhWHDVl |
|---|---|
| InChI | InChI=1S/C14H15F3O4/c1-3-8-20-12(18)10-4-6-11(7-5-10)13(19)21-9(2)14(15,16)17/h4-7,9H,3,8H2,1-2H3 |
| InChIKey | JJHVLUUDGWVXQI-UHFFFAOYSA-N |
| Mol Weight | 304.27 g/mol |
| Molecular Formula | C14H15F3O4 |
| Exact Mass | 304.092243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 66a5OUnLlyN |
|---|---|
| Name | Terephthalic acid, propyl 1,1,1-trifluoroprop-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.092243448 u |
| Formula | C14H15F3O4 |
| InChI | InChI=1S/C14H15F3O4/c1-3-8-20-12(18)10-4-6-11(7-5-10)13(19)21-9(2)14(15,16)17/h4-7,9H,3,8H2,1-2H3 |
| InChIKey | JJHVLUUDGWVXQI-UHFFFAOYSA-N |
| Molecular Weight | 304.265 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCC)=O)C(OC(C(F)(F)F)C)=O |