| SpectraBase Compound ID | 5Sdj7vxqIQz |
|---|---|
| InChI | InChI=1S/C17H21F3O4/c1-2-3-4-5-6-11-23-15(21)13-7-9-14(10-8-13)16(22)24-12-17(18,19)20/h7-10H,2-6,11-12H2,1H3 |
| InChIKey | HQYWIIKVBZXPAZ-UHFFFAOYSA-N |
| Mol Weight | 346.35 g/mol |
| Molecular Formula | C17H21F3O4 |
| Exact Mass | 346.139194 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7XxRdbX9Usu |
|---|---|
| Name | Terephthalic acid, heptyl 2,2,2-trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.139193641 u |
| Formula | C17H21F3O4 |
| InChI | InChI=1S/C17H21F3O4/c1-2-3-4-5-6-11-23-15(21)13-7-9-14(10-8-13)16(22)24-12-17(18,19)20/h7-10H,2-6,11-12H2,1H3 |
| InChIKey | HQYWIIKVBZXPAZ-UHFFFAOYSA-N |
| Molecular Weight | 346.346 g/mol |
| SMILES | C1=CC(=CC=C1C(OCC(F)(F)F)=O)C(OCCCCCCC)=O |