![3-[2-(Trifluoromethyl)phenyl]-2-propynal](/api/spectrum/5IvL5TxWQmZ/structure.png?h=300&w=458 "3-[2-(Trifluoromethyl)phenyl]-2-propynal")
| SpectraBase Compound ID | DEsx99IReFA |
|---|---|
| InChI | InChI=1S/C10H5F3O/c11-10(12,13)9-6-2-1-4-8(9)5-3-7-14/h1-2,4,6-7H |
| InChIKey | AFEGGAXPIRCHQV-UHFFFAOYSA-N |
| Mol Weight | 198.14 g/mol |
| Molecular Formula | C10H5F3O |
| Exact Mass | 198.029249 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5IvL5TxWQmZ |
|---|---|
| Name | 3-[2-(Trifluoromethyl)phenyl]-2-propynal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.029249269 u |
| Formula | C10H5F3O |
| InChI | InChI=1S/C10H5F3O/c11-10(12,13)9-6-2-1-4-8(9)5-3-7-14/h1-2,4,6-7H |
| InChIKey | AFEGGAXPIRCHQV-UHFFFAOYSA-N |
| Molecular Weight | 198.144 g/mol |
| SMILES | C=1(C(=CC=CC1)C(F)(F)F)C#CC=O |