| SpectraBase Compound ID | 12WGsZDa6ZR |
|---|---|
| InChI | InChI=1S/C11H7F3O2/c1-2-7-16-10(15)8-3-5-9(6-4-8)11(12,13)14/h1,3-6H,7H2 |
| InChIKey | XFPFLWDFZSVNJI-UHFFFAOYSA-N |
| Mol Weight | 228.17 g/mol |
| Molecular Formula | C11H7F3O2 |
| Exact Mass | 228.039814 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4oZidIg9rdu |
|---|---|
| Name | 4-Trifluoromethylbenzoic acid, propargyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.039813952 u |
| Formula | C11H7F3O2 |
| InChI | InChI=1S/C11H7F3O2/c1-2-7-16-10(15)8-3-5-9(6-4-8)11(12,13)14/h1,3-6H,7H2 |
| InChIKey | XFPFLWDFZSVNJI-UHFFFAOYSA-N |
| Molecular Weight | 228.170 g/mol |
| SMILES | C1=CC(=CC=C1C(OCC#C)=O)C(F)(F)F |