| SpectraBase Compound ID | GtT1e9n0M65 |
|---|---|
| InChI | InChI=1S/C19H19FO4/c1-13(2)11-23-18(21)14-7-9-15(10-8-14)19(22)24-12-16-5-3-4-6-17(16)20/h3-10,13H,11-12H2,1-2H3 |
| InChIKey | ADCLOSPNMFLQBY-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 | 7cFdfIjzJjm |
|---|---|
| Name | Terephthalic acid, 2-fluorobenzyl isobutyl 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/c1-13(2)11-23-18(21)14-7-9-15(10-8-14)19(22)24-12-16-5-3-4-6-17(16)20/h3-10,13H,11-12H2,1-2H3 |
| InChIKey | ADCLOSPNMFLQBY-UHFFFAOYSA-N |
| Molecular Weight | 330.355 g/mol |
| SMILES | C1=CC(=CC=C1C(OCC1=C(C=CC=C1)F)=O)C(OCC(C)C)=O |