| SpectraBase Compound ID | 1xLR84GSLuo |
|---|---|
| InChI | InChI=1S/C4H4F6O/c5-2(4(8,9)10)3(6,7)1-11/h2,11H,1H2 |
| InChIKey | LVFXLZRISXUAIL-UHFFFAOYSA-N |
| Mol Weight | 182.07 g/mol |
| Molecular Formula | C4H4F6O |
| Exact Mass | 182.016634 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | AK1ipWI2Z8N |
|---|---|
| Name | 2,2,3,4,4,4-Hexafluoro-1-butanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.016633726 u |
| Formula | C4H4F6O |
| InChI | InChI=1S/C4H4F6O/c5-2(4(8,9)10)3(6,7)1-11/h2,11H,1H2 |
| InChIKey | LVFXLZRISXUAIL-UHFFFAOYSA-N |
| Molecular Weight | 182.065 g/mol |
| SMILES | C(F)(CO)(C(C(F)(F)F)F)F |
| Spectrum/Structure Validation Score (Raman) | 0.913444 |