| SpectraBase Compound ID | FZVpjcELktV |
|---|---|
| InChI | InChI=1S/C10H6ClF3/c11-9(6-7-10(12,13)14)8-4-2-1-3-5-8/h1-5,9H |
| InChIKey | FRQYEKUPJFDBFG-UHFFFAOYSA-N |
| Mol Weight | 218.61 g/mol |
| Molecular Formula | C10H6ClF3 |
| Exact Mass | 218.011012 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Atn09uuYfxU |
|---|---|
| Name | 1,1,1-Trifluoro-4-chloro-4-phenylbut-2-yne |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.011012382 u |
| Formula | C10H6ClF3 |
| InChI | InChI=1S/C10H6ClF3/c11-9(6-7-10(12,13)14)8-4-2-1-3-5-8/h1-5,9H |
| InChIKey | FRQYEKUPJFDBFG-UHFFFAOYSA-N |
| Molecular Weight | 218.606 g/mol |
| SMILES | C(#CC(C=1C=CC=CC1)Cl)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.818418 |