| SpectraBase Compound ID | LIdTaxfJSm3 |
|---|---|
| InChI | InChI=1S/C19H19FO4/c1-2-12-23-18(21)15-5-7-16(8-6-15)19(22)24-13-11-14-3-9-17(20)10-4-14/h3-10H,2,11-13H2,1H3 |
| InChIKey | HSHUKGUHJVDZMX-UHFFFAOYSA-N |
| Mol Weight | 330.36 g/mol |
| Molecular Formula | C19H19FO4 |
| Exact Mass | 330.126737 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9g2ZgMW4SoJ |
|---|---|
| Name | Terephthalic acid, 4-fluorophenethyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.126737251 u |
| Formula | C19H19FO4 |
| InChI | InChI=1S/C19H19FO4/c1-2-12-23-18(21)15-5-7-16(8-6-15)19(22)24-13-11-14-3-9-17(20)10-4-14/h3-10H,2,11-13H2,1H3 |
| InChIKey | HSHUKGUHJVDZMX-UHFFFAOYSA-N |
| Molecular Weight | 330.355 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCC)=O)C(=O)OCCC1=CC=C(C=C1)F |