| SpectraBase Compound ID | HQOEwWKDb6y |
|---|---|
| InChI | InChI=1S/C16H19F3O4/c1-3-4-5-10-22-14(20)12-6-8-13(9-7-12)15(21)23-11(2)16(17,18)19/h6-9,11H,3-5,10H2,1-2H3 |
| InChIKey | RYXODIUCNJLQEZ-UHFFFAOYSA-N |
| Mol Weight | 332.32 g/mol |
| Molecular Formula | C16H19F3O4 |
| Exact Mass | 332.123544 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jhbh2JI8d8A |
|---|---|
| Name | Terephthalic acid, pentyl 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 | 332.123543577 u |
| Formula | C16H19F3O4 |
| InChI | InChI=1S/C16H19F3O4/c1-3-4-5-10-22-14(20)12-6-8-13(9-7-12)15(21)23-11(2)16(17,18)19/h6-9,11H,3-5,10H2,1-2H3 |
| InChIKey | RYXODIUCNJLQEZ-UHFFFAOYSA-N |
| Molecular Weight | 332.319 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCCCC)=O)C(OC(C(F)(F)F)C)=O |