| SpectraBase Compound ID | 9gvWo3A6g4s |
|---|---|
| InChI | InChI=1S/C9H6ClF3O2/c10-7-3-1-6(2-4-7)5-15-8(14)9(11,12)13/h1-4H,5H2 |
| InChIKey | WRYXVYBIODRCTM-UHFFFAOYSA-N |
| Mol Weight | 238.59 g/mol |
| Molecular Formula | C9H6ClF3O2 |
| Exact Mass | 238.000842 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H4BPj9aloC3 |
|---|---|
| Name | Trifluoroacetic acid, 4-chlorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.000841620 u |
| Formula | C9H6ClF3O2 |
| InChI | InChI=1S/C9H6ClF3O2/c10-7-3-1-6(2-4-7)5-15-8(14)9(11,12)13/h1-4H,5H2 |
| InChIKey | WRYXVYBIODRCTM-UHFFFAOYSA-N |
| Molecular Weight | 238.593 g/mol |
| SMILES | C1(Cl)=CC=C(COC(C(F)(F)F)=O)C=C1 |