| SpectraBase Compound ID | 2bL59JhrRUX |
|---|---|
| InChI | InChI=1S/C6HF9/c7-4(8,9)2-1-3(5(10,11)12)6(13,14)15/h3H |
| InChIKey | OGCPRHPXDPBSGB-UHFFFAOYSA-N |
| Mol Weight | 244.06 g/mol |
| Molecular Formula | C6HF9 |
| Exact Mass | 243.993453 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J3ludPWiCip |
|---|---|
| Name | 1,1,1,5,5,5-Hexafluoro-4-(trifluoromethyl)pent-2-yne |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.993453499 u |
| Formula | C6HF9 |
| InChI | InChI=1S/C6HF9/c7-4(8,9)2-1-3(5(10,11)12)6(13,14)15/h3H |
| InChIKey | OGCPRHPXDPBSGB-UHFFFAOYSA-N |
| Molecular Weight | 244.060 g/mol |
| SMILES | C(C#CC(F)(F)F)(C(F)(F)F)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958795 |