| SpectraBase Compound ID | 5pKKi4SXqt3 |
|---|---|
| InChI | InChI=1S/C4H7F3S2/c1-3(2)8-9-4(5,6)7/h3H,1-2H3 |
| InChIKey | DUOCZXQKHSWHAQ-UHFFFAOYSA-N |
| Mol Weight | 176.22 g/mol |
| Molecular Formula | C4H7F3S2 |
| Exact Mass | 175.994127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6jNrletFyN |
|---|---|
| Name | Trifluoromethyl isopropyl disulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.994127062 u |
| Formula | C4H7F3S2 |
| InChI | InChI=1S/C4H7F3S2/c1-3(2)8-9-4(5,6)7/h3H,1-2H3 |
| InChIKey | DUOCZXQKHSWHAQ-UHFFFAOYSA-N |
| Molecular Weight | 176.215 g/mol |
| SMILES | C(SSC(F)(F)F)(C)C |