| SpectraBase Compound ID | KuLDy5bdArw |
|---|---|
| InChI | InChI=1S/C12H12ClF3O3/c1-7-5-9(13)3-4-10(7)19-8(2)11(17)18-6-12(14,15)16/h3-5,8H,6H2,1-2H3 |
| InChIKey | ZXLCIQWCADIEFD-UHFFFAOYSA-N |
| Mol Weight | 296.67 g/mol |
| Molecular Formula | C12H12ClF3O3 |
| Exact Mass | 296.042706 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AnLTXC7s6sU |
|---|---|
| Name | Mecopror, 2,2,2-trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.042706432 u |
| Formula | C12H12ClF3O3 |
| InChI | InChI=1S/C12H12ClF3O3/c1-7-5-9(13)3-4-10(7)19-8(2)11(17)18-6-12(14,15)16/h3-5,8H,6H2,1-2H3 |
| InChIKey | ZXLCIQWCADIEFD-UHFFFAOYSA-N |
| Molecular Weight | 296.673 g/mol |
| SMILES | C1=CC(OC(C(OCC(F)(F)F)=O)C)=C(C=C1Cl)C |