| SpectraBase Compound ID | BmQBLNvNVfU |
|---|---|
| InChI | InChI=1S/C5F8/c6-3(7,5(11,12)13)1-2-4(8,9)10 |
| InChIKey | WDTCMFNXBZHCPK-UHFFFAOYSA-N |
| Mol Weight | 212.04 g/mol |
| Molecular Formula | C5F8 |
| Exact Mass | 211.987225 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BlbivJuGOnQ |
|---|---|
| Name | 2-Pentyne, 1,1,1,4,4,5,5,5-octafluoro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.987225304 u |
| Formula | C5F8 |
| InChI | InChI=1S/C5F8/c6-3(7,5(11,12)13)1-2-4(8,9)10 |
| InChIKey | WDTCMFNXBZHCPK-UHFFFAOYSA-N |
| Molecular Weight | 212.042 g/mol |
| SMILES | C(C(C#CC(F)(F)F)(F)F)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958889 |