| SpectraBase Compound ID | 33drHqjyCHB |
|---|---|
| InChI | InChI=1S/C15H13FO2/c1-2-11-7-9-12(10-8-11)15(17)18-14-6-4-3-5-13(14)16/h3-10H,2H2,1H3 |
| InChIKey | XCCSDGMTUBHMIJ-UHFFFAOYSA-N |
| Mol Weight | 244.27 g/mol |
| Molecular Formula | C15H13FO2 |
| Exact Mass | 244.089958 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LmqB2oTpZT7 |
|---|---|
| Name | 4-Ethylbenzoic acid, 2-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.089957820 u |
| Formula | C15H13FO2 |
| InChI | InChI=1S/C15H13FO2/c1-2-11-7-9-12(10-8-11)15(17)18-14-6-4-3-5-13(14)16/h3-10H,2H2,1H3 |
| InChIKey | XCCSDGMTUBHMIJ-UHFFFAOYSA-N |
| Molecular Weight | 244.265 g/mol |
| SMILES | C1=CC(=CC=C1C(OC1=CC=CC=C1F)=O)CC |