| SpectraBase Compound ID | 8G5qKLuBHjn |
|---|---|
| InChI | InChI=1S/C19H19FO4/c1-13(2)11-23-18(21)15-6-8-16(9-7-15)19(22)24-12-14-4-3-5-17(20)10-14/h3-10,13H,11-12H2,1-2H3 |
| InChIKey | ZYEXMMUMGNMQNX-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 | Hu0h7c5T8nu |
|---|---|
| Name | Terephthalic acid, isobutyl 3-fluorobenzyl 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)15-6-8-16(9-7-15)19(22)24-12-14-4-3-5-17(20)10-14/h3-10,13H,11-12H2,1-2H3 |
| InChIKey | ZYEXMMUMGNMQNX-UHFFFAOYSA-N |
| Molecular Weight | 330.355 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCC(C)C)=O)C(=O)OCC1=CC=CC(=C1)F |