| SpectraBase Compound ID | CNUP6uP9zVy |
|---|---|
| InChI | InChI=1S/C8H6ClFO2/c9-5-8(11)12-7-3-1-2-6(10)4-7/h1-4H,5H2 |
| InChIKey | VSEDRHUUPRDYOI-UHFFFAOYSA-N |
| Mol Weight | 188.59 g/mol |
| Molecular Formula | C8H6ClFO2 |
| Exact Mass | 188.004035 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | je09W95Krf |
|---|---|
| Name | Chloroacetic acid, 3-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.004035294 u |
| Formula | C8H6ClFO2 |
| InChI | InChI=1S/C8H6ClFO2/c9-5-8(11)12-7-3-1-2-6(10)4-7/h1-4H,5H2 |
| InChIKey | VSEDRHUUPRDYOI-UHFFFAOYSA-N |
| Molecular Weight | 188.585 g/mol |
| SMILES | C(=O)(CCl)OC1=CC=CC(=C1)F |