| SpectraBase Compound ID | w56K334LZh |
|---|---|
| InChI | InChI=1S/C11H8ClF3O2/c12-6-1-7-17-10(16)8-2-4-9(5-3-8)11(13,14)15/h1-6H,7H2/b6-1+ |
| InChIKey | WAVIARCGALFILB-LZCJLJQNSA-N |
| Mol Weight | 264.63 g/mol |
| Molecular Formula | C11H8ClF3O2 |
| Exact Mass | 264.016492 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E5NP8jkA8Ku |
|---|---|
| Name | 4-(Trifluoromethyl)benzoic acid, 3-chloroprop-2-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.016491685 u |
| Formula | C11H8ClF3O2 |
| InChI | InChI=1S/C11H8ClF3O2/c12-6-1-7-17-10(16)8-2-4-9(5-3-8)11(13,14)15/h1-6H,7H2/b6-1+ |
| InChIKey | WAVIARCGALFILB-LZCJLJQNSA-N |
| Molecular Weight | 264.631 g/mol |
| SMILES | C1=CC(=CC=C1C(OC\C=C\Cl)=O)C(F)(F)F |