| SpectraBase Spectrum ID |
9xelLS4FmwV |
| Name |
1,1,1,4,4,5,5,5-Octafluoro-2-trifluoromethylpentane-3-thione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.962330999 u |
| Formula |
C6HF11S |
| InChI |
InChI=1S/C6HF11S/c7-3(8,6(15,16)17)2(18)1(4(9,10)11)5(12,13)14/h1H |
| InChIKey |
YLVHPIBXZVWJSH-UHFFFAOYSA-N |
| Molecular Weight |
314.116 g/mol |
| SMILES |
C(C(=S)C(C(F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972186 |
