| SpectraBase Compound ID | 336FxwpCXOA |
|---|---|
| InChI | InChI=1S/C20H21FO4/c1-2-3-4-7-13-24-19(22)17-11-5-6-12-18(17)20(23)25-16-10-8-9-15(21)14-16/h5-6,8-12,14H,2-4,7,13H2,1H3 |
| InChIKey | QVAONQXGKAHWEH-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 | 3Kyo9dr8Ufa |
|---|---|
| Name | Phthalic acid, 3-fluorophenyl hexyl 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/c1-2-3-4-7-13-24-19(22)17-11-5-6-12-18(17)20(23)25-16-10-8-9-15(21)14-16/h5-6,8-12,14H,2-4,7,13H2,1H3 |
| InChIKey | QVAONQXGKAHWEH-UHFFFAOYSA-N |
| Molecular Weight | 344.382 g/mol |
| SMILES | C1(=CC=CC=C1C(OCCCCCC)=O)C(OC1=CC(=CC=C1)F)=O |