| SpectraBase Compound ID | Hdst7GM4uf0 |
|---|---|
| InChI | InChI=1S/C11H7F3O/c1-8(15)6-7-9-4-2-3-5-10(9)11(12,13)14/h2-5H,1H3 |
| InChIKey | JQUVPWAWHKFBOE-UHFFFAOYSA-N |
| Mol Weight | 212.17 g/mol |
| Molecular Formula | C11H7F3O |
| Exact Mass | 212.044899 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KFUXEpiQoVR |
|---|---|
| Name | 1-(2-Acetethynyl)-2-trifluoromethylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.044899333 u |
| Formula | C11H7F3O |
| InChI | InChI=1S/C11H7F3O/c1-8(15)6-7-9-4-2-3-5-10(9)11(12,13)14/h2-5H,1H3 |
| InChIKey | JQUVPWAWHKFBOE-UHFFFAOYSA-N |
| Molecular Weight | 212.171 g/mol |
| SMILES | C(C1=C(C#CC(=O)C)C=CC=C1)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.890138 |