![bis[2-(Perfluorohexyl)ethyl]sulphide](/api/spectrum/BRM6SHpxULX/structure.png?h=300&w=458 "bis[2-(Perfluorohexyl)ethyl]sulphide")
| SpectraBase Compound ID | 8NwksBhMb72 |
|---|---|
| InChI | InChI=1S/C16H8F26S/c17-5(18,7(21,22)9(25,26)11(29,30)13(33,34)15(37,38)39)1-3-43-4-2-6(19,20)8(23,24)10(27,28)12(31,32)14(35,36)16(40,41)42/h1-4H2 |
| InChIKey | JYSFLRKQMINJRB-UHFFFAOYSA-N |
| Mol Weight | 726.26 g/mol |
| Molecular Formula | C16H8F26S |
| Exact Mass | 725.993154 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BRM6SHpxULX |
|---|---|
| Name | bis[2-(Perfluorohexyl)ethyl]sulphide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 725.993153670 u |
| Formula | C16H8F26S |
| InChI | InChI=1S/C16H8F26S/c17-5(18,7(21,22)9(25,26)11(29,30)13(33,34)15(37,38)39)1-3-43-4-2-6(19,20)8(23,24)10(27,28)12(31,32)14(35,36)16(40,41)42/h1-4H2 |
| InChIKey | JYSFLRKQMINJRB-UHFFFAOYSA-N |
| Molecular Weight | 726.258 g/mol |
| SMILES | C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(CCSCCC(C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(F)F)(F)F)(F)F)(F)(F)F |