| SpectraBase Compound ID | 9N4PxyZ54kz |
|---|---|
| InChI | InChI=1S/C10H9ClF2O2/c1-7-2-4-8(5-3-7)6-15-9(14)10(11,12)13/h2-5H,6H2,1H3 |
| InChIKey | OZRDDLLNRYIHHX-UHFFFAOYSA-N |
| Mol Weight | 234.63 g/mol |
| Molecular Formula | C10H9ClF2O2 |
| Exact Mass | 234.025914 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FUmldlh4b53 |
|---|---|
| Name | (4-Methylphenyl)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 | 234.025913554 u |
| Formula | C10H9ClF2O2 |
| InChI | InChI=1S/C10H9ClF2O2/c1-7-2-4-8(5-3-7)6-15-9(14)10(11,12)13/h2-5H,6H2,1H3 |
| InChIKey | OZRDDLLNRYIHHX-UHFFFAOYSA-N |
| Molecular Weight | 234.630 g/mol |
| SMILES | C(C(F)(F)Cl)(=O)OCC=1C=CC(=CC1)C |