| SpectraBase Compound ID | IMlI6XJZbiE |
|---|---|
| InChI | InChI=1S/C5H6F6O4/c6-4(7,8)2(12,13)1-3(14,15)5(9,10)11/h12-15H,1H2 |
| InChIKey | BZMWYBPDQWRVHE-UHFFFAOYSA-N |
| Mol Weight | 244.09 g/mol |
| Molecular Formula | C5H6F6O4 |
| Exact Mass | 244.017028 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9Pi1VWvQJdI |
|---|---|
| Name | 1,1,1,5,5,5-Hexafluoro-2,2,4,4-pentanetetrol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.017027647 u |
| Formula | C5H6F6O4 |
| InChI | InChI=1S/C5H6F6O4/c6-4(7,8)2(12,13)1-3(14,15)5(9,10)11/h12-15H,1H2 |
| InChIKey | BZMWYBPDQWRVHE-UHFFFAOYSA-N |
| Molecular Weight | 244.089 g/mol |
| SMILES | C(C(F)(F)F)(CC(C(F)(F)F)(O)O)(O)O |
| Spectrum/Structure Validation Score (Raman) | 0.843006 |