| SpectraBase Compound ID | FT4E8jKCVmv |
|---|---|
| InChI | InChI=1S/C10H5F3O/c11-10(12,13)9(14)7-6-8-4-2-1-3-5-8/h1-5H |
| InChIKey | LISOVATZGSPQOC-UHFFFAOYSA-N |
| Mol Weight | 198.14 g/mol |
| Molecular Formula | C10H5F3O |
| Exact Mass | 198.029249 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8BaUfWIkII6 |
|---|---|
| Name | 1,1,1-Trifluoro-4-phenyl-3-butyn-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| 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(14)7-6-8-4-2-1-3-5-8/h1-5H |
| InChIKey | LISOVATZGSPQOC-UHFFFAOYSA-N |
| Molecular Weight | 198.144 g/mol |
| SMILES | C(=O)(C#CC1=CC=CC=C1)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938072 |