| SpectraBase Compound ID | K12ExLAfw3N |
|---|---|
| InChI | InChI=1S/C9H5Cl2F3O2/c10-6-2-1-5(7(11)3-6)4-16-8(15)9(12,13)14/h1-3H,4H2 |
| InChIKey | PHBQEKHMOBBCFE-UHFFFAOYSA-N |
| Mol Weight | 273.04 g/mol |
| Molecular Formula | C9H5Cl2F3O2 |
| Exact Mass | 271.961869 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A9J3ashFANt |
|---|---|
| Name | 2,4-Dichlorobenzyl alcohol, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.961869288 u |
| Formula | C9H5Cl2F3O2 |
| InChI | InChI=1S/C9H5Cl2F3O2/c10-6-2-1-5(7(11)3-6)4-16-8(15)9(12,13)14/h1-3H,4H2 |
| InChIKey | PHBQEKHMOBBCFE-UHFFFAOYSA-N |
| Molecular Weight | 273.038 g/mol |
| SMILES | C1(=CC(=CC=C1COC(C(F)(F)F)=O)Cl)Cl |