| SpectraBase Compound ID | JwphnaMd7BK |
|---|---|
| InChI | InChI=1S/C12H4F10O2S2/c13-9(14,11(17,18)19)7(23)25-5-1-2-6(4-3-5)26-8(24)10(15,16)12(20,21)22/h1-4H |
| InChIKey | CNNBIUFJFWNVAP-UHFFFAOYSA-N |
| Mol Weight | 434.27 g/mol |
| Molecular Formula | C12H4F10O2S2 |
| Exact Mass | 433.949303 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 89OyLFykvHP |
|---|---|
| Name | 1,4-Benzenedithiol, S,S'-di(pentafluoropropionyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 433.949303345 u |
| Formula | C12H4F10O2S2 |
| InChI | InChI=1S/C12H4F10O2S2/c13-9(14,11(17,18)19)7(23)25-5-1-2-6(4-3-5)26-8(24)10(15,16)12(20,21)22/h1-4H |
| InChIKey | CNNBIUFJFWNVAP-UHFFFAOYSA-N |
| Molecular Weight | 434.266 g/mol |
| SMILES | C1(=CC=C(C=C1)SC(C(C(F)(F)F)(F)F)=O)SC(C(C(F)(F)F)(F)F)=O |