| SpectraBase Compound ID | JnEF5C5FEaH |
|---|---|
| InChI | InChI=1S/C9H6Cl2F2O2/c10-7-3-1-6(2-4-7)5-15-8(14)9(11,12)13/h1-4H,5H2 |
| InChIKey | PGTSDCWZKHKSFW-UHFFFAOYSA-N |
| Mol Weight | 255.05 g/mol |
| Molecular Formula | C9H6Cl2F2O2 |
| Exact Mass | 253.971291 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AeycHKkbNPP |
|---|---|
| Name | (4-Chlorophenyl)methyl 2-chloranyl-2,2-bis(fluoranyl)ethanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.971291157 u |
| Formula | C9H6Cl2F2O2 |
| InChI | InChI=1S/C9H6Cl2F2O2/c10-7-3-1-6(2-4-7)5-15-8(14)9(11,12)13/h1-4H,5H2 |
| InChIKey | PGTSDCWZKHKSFW-UHFFFAOYSA-N |
| Molecular Weight | 255.048 g/mol |
| SMILES | C(C(F)(F)Cl)(=O)OCC=1C=CC(=CC1)Cl |