| SpectraBase Compound ID | GQRMK0EYwBm |
|---|---|
| InChI | InChI=1S/C7H4ClF3S2/c8-5-1-3-6(4-2-5)12-13-7(9,10)11/h1-4H |
| InChIKey | DGDQKVHICAFREC-UHFFFAOYSA-N |
| Mol Weight | 244.68 g/mol |
| Molecular Formula | C7H4ClF3S2 |
| Exact Mass | 243.939505 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1rWb0T4ibvN |
|---|---|
| Name | 4-Chlorophenyl-trifluoromethyl-disulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.939504666 u |
| Formula | C7H4ClF3S2 |
| InChI | InChI=1S/C7H4ClF3S2/c8-5-1-3-6(4-2-5)12-13-7(9,10)11/h1-4H |
| InChIKey | DGDQKVHICAFREC-UHFFFAOYSA-N |
| Molecular Weight | 244.677 g/mol |
| SMILES | C(F)(F)(F)SSC1=CC=C(C=C1)Cl |