| SpectraBase Compound ID | 4PQzEknI0MT |
|---|---|
| InChI | InChI=1S/C19H25F3O4/c1-2-3-4-5-6-7-8-13-25-17(23)15-9-11-16(12-10-15)18(24)26-14-19(20,21)22/h9-12H,2-8,13-14H2,1H3 |
| InChIKey | WPOFGPQHIIKISJ-UHFFFAOYSA-N |
| Mol Weight | 374.4 g/mol |
| Molecular Formula | C19H25F3O4 |
| Exact Mass | 374.170494 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HLVMb0nImZv |
|---|---|
| Name | Terephthalic acid, nonyl 2,2,2-trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.170493770 u |
| Formula | C19H25F3O4 |
| InChI | InChI=1S/C19H25F3O4/c1-2-3-4-5-6-7-8-13-25-17(23)15-9-11-16(12-10-15)18(24)26-14-19(20,21)22/h9-12H,2-8,13-14H2,1H3 |
| InChIKey | WPOFGPQHIIKISJ-UHFFFAOYSA-N |
| Molecular Weight | 374.400 g/mol |
| SMILES | C1=CC(=CC=C1C(OCC(F)(F)F)=O)C(OCCCCCCCCC)=O |