![2,2,2-Trifluoroethyl 3-[(2-chlorophenoxy)methyl]benzoate](/api/spectrum/HnKdvdANNpZ/structure.png?h=300&w=458 "2,2,2-Trifluoroethyl 3-[(2-chlorophenoxy)methyl]benzoate")
| SpectraBase Compound ID | 49y34ZI9wB0 |
|---|---|
| InChI | InChI=1S/C16H12ClF3O3/c17-13-6-1-2-7-14(13)22-9-11-4-3-5-12(8-11)15(21)23-10-16(18,19)20/h1-8H,9-10H2 |
| InChIKey | FLCILPUFSUBBFA-UHFFFAOYSA-N |
| Mol Weight | 344.72 g/mol |
| Molecular Formula | C16H12ClF3O3 |
| Exact Mass | 344.042706 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HnKdvdANNpZ |
|---|---|
| Name | 2,2,2-Trifluoroethyl 3-[(2-chlorophenoxy)methyl]benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.042706432 u |
| Formula | C16H12ClF3O3 |
| InChI | InChI=1S/C16H12ClF3O3/c17-13-6-1-2-7-14(13)22-9-11-4-3-5-12(8-11)15(21)23-10-16(18,19)20/h1-8H,9-10H2 |
| InChIKey | FLCILPUFSUBBFA-UHFFFAOYSA-N |
| Molecular Weight | 344.717 g/mol |
| SMILES | C(COC(C=1C=C(COC=2C(Cl)=CC=CC2)C=CC1)=O)(F)(F)F |