| SpectraBase Compound ID | KTbrFneepjU |
|---|---|
| InChI | InChI=1S/C18H17FO4/c1-2-10-22-17(20)14-6-8-15(9-7-14)18(21)23-12-13-4-3-5-16(19)11-13/h3-9,11H,2,10,12H2,1H3 |
| InChIKey | SUJREYZMXRDMII-UHFFFAOYSA-N |
| Mol Weight | 316.33 g/mol |
| Molecular Formula | C18H17FO4 |
| Exact Mass | 316.111087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FYXdE7A5k8b |
|---|---|
| Name | Terephthalic acid, 3-fluorobenzyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.111087186 u |
| Formula | C18H17FO4 |
| InChI | InChI=1S/C18H17FO4/c1-2-10-22-17(20)14-6-8-15(9-7-14)18(21)23-12-13-4-3-5-16(19)11-13/h3-9,11H,2,10,12H2,1H3 |
| InChIKey | SUJREYZMXRDMII-UHFFFAOYSA-N |
| Molecular Weight | 316.328 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCC)=O)C(=O)OCC1=CC=CC(=C1)F |