| SpectraBase Compound ID | L3QrgS4UfzE |
|---|---|
| InChI | InChI=1S/C13H8F2O2/c14-10-7-5-9(6-8-10)13(16)17-12-4-2-1-3-11(12)15/h1-8H |
| InChIKey | PKYRMQODDMHBPO-UHFFFAOYSA-N |
| Mol Weight | 234.2 g/mol |
| Molecular Formula | C13H8F2O2 |
| Exact Mass | 234.049236 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IbmtTEyETKH |
|---|---|
| Name | 4-Fluorobenzoic acid, 2-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.049235822 u |
| Formula | C13H8F2O2 |
| InChI | InChI=1S/C13H8F2O2/c14-10-7-5-9(6-8-10)13(16)17-12-4-2-1-3-11(12)15/h1-8H |
| InChIKey | PKYRMQODDMHBPO-UHFFFAOYSA-N |
| Molecular Weight | 234.202 g/mol |
| SMILES | C1=CC(=CC=C1C(OC1=C(C=CC=C1)F)=O)F |