| SpectraBase Compound ID | GxlMLGq1667 |
|---|---|
| InChI | InChI=1S/C8H9F5O/c1-2-3-6(14)4-5-7(9,10)8(11,12)13/h6,14H,2-3H2,1H3 |
| InChIKey | FYNMMIIWBCEJQJ-UHFFFAOYSA-N |
| Mol Weight | 216.15 g/mol |
| Molecular Formula | C8H9F5O |
| Exact Mass | 216.057356 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | ChoMF5GjMJ6 |
|---|---|
| Name | 7,7,8,8,8-Pentafluoro-5-octyn-4-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.057355724 u |
| Formula | C8H9F5O |
| InChI | InChI=1S/C8H9F5O/c1-2-3-6(14)4-5-7(9,10)8(11,12)13/h6,14H,2-3H2,1H3 |
| InChIKey | FYNMMIIWBCEJQJ-UHFFFAOYSA-N |
| Molecular Weight | 216.151 g/mol |
| SMILES | OC(C#CC(C(F)(F)F)(F)F)CCC |
| Spectrum/Structure Validation Score (Raman) | 0.935284 |