| SpectraBase Compound ID | vNb2qrTYgK |
|---|---|
| InChI | InChI=1S/C20H21FO4/c1-2-3-4-12-24-19(22)16-8-10-17(11-9-16)20(23)25-14-15-6-5-7-18(21)13-15/h5-11,13H,2-4,12,14H2,1H3 |
| InChIKey | WWHJEQNGAVCTKR-UHFFFAOYSA-N |
| Mol Weight | 344.38 g/mol |
| Molecular Formula | C20H21FO4 |
| Exact Mass | 344.142387 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 22xgk0h8UEa |
|---|---|
| Name | Terephthalic acid, 3-fluorobenzyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.142387315 u |
| Formula | C20H21FO4 |
| InChI | InChI=1S/C20H21FO4/c1-2-3-4-12-24-19(22)16-8-10-17(11-9-16)20(23)25-14-15-6-5-7-18(21)13-15/h5-11,13H,2-4,12,14H2,1H3 |
| InChIKey | WWHJEQNGAVCTKR-UHFFFAOYSA-N |
| Molecular Weight | 344.382 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCCCC)=O)C(=O)OCC1=CC=CC(=C1)F |