| SpectraBase Compound ID | CVicF23ccXn |
|---|---|
| InChI | InChI=1S/C20H21FO4/c1-2-3-13-24-19(22)16-6-8-17(9-7-16)20(23)25-14-12-15-4-10-18(21)11-5-15/h4-11H,2-3,12-14H2,1H3 |
| InChIKey | XVINQLQRNYMTDZ-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 | DYEnF2xvRhk |
|---|---|
| Name | Terephthalic acid, butyl 4-fluorophenethyl 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/c1-2-3-13-24-19(22)16-6-8-17(9-7-16)20(23)25-14-12-15-4-10-18(21)11-5-15/h4-11H,2-3,12-14H2,1H3 |
| InChIKey | XVINQLQRNYMTDZ-UHFFFAOYSA-N |
| Molecular Weight | 344.382 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCCC)=O)C(=O)OCCC1=CC=C(C=C1)F |