| SpectraBase Compound ID | JoaATBwtvA |
|---|---|
| InChI | InChI=1S/C4H2F4/c5-3(6)1-2-4(7)8/h3-4H |
| InChIKey | FKFMCFQBZHBUIJ-UHFFFAOYSA-N |
| Mol Weight | 126.05 g/mol |
| Molecular Formula | C4H2F4 |
| Exact Mass | 126.009263 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CjZbZutZXjn |
|---|---|
| Name | 1,1,4,4-Tetrafluorobut-2-yne |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.009262716 u |
| Formula | C4H2F4 |
| InChI | InChI=1S/C4H2F4/c5-3(6)1-2-4(7)8/h3-4H |
| InChIKey | FKFMCFQBZHBUIJ-UHFFFAOYSA-N |
| Molecular Weight | 126.054 g/mol |
| SMILES | C(#CC(F)F)C(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.891065 |