| SpectraBase Compound ID | GDGrY7Qs98J |
|---|---|
| InChI | InChI=1S/C18H23F3O4/c1-2-3-4-5-6-7-12-24-16(22)14-8-10-15(11-9-14)17(23)25-13-18(19,20)21/h8-11H,2-7,12-13H2,1H3 |
| InChIKey | OWVJZURNGCWOET-UHFFFAOYSA-N |
| Mol Weight | 360.37 g/mol |
| Molecular Formula | C18H23F3O4 |
| Exact Mass | 360.154844 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2T7mrBGPzer |
|---|---|
| Name | Terephthalic acid, octyl 2,2,2-trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.154843706 u |
| Formula | C18H23F3O4 |
| InChI | InChI=1S/C18H23F3O4/c1-2-3-4-5-6-7-12-24-16(22)14-8-10-15(11-9-14)17(23)25-13-18(19,20)21/h8-11H,2-7,12-13H2,1H3 |
| InChIKey | OWVJZURNGCWOET-UHFFFAOYSA-N |
| Molecular Weight | 360.373 g/mol |
| SMILES | C1=CC(=CC=C1C(OCC(F)(F)F)=O)C(OCCCCCCCC)=O |