| SpectraBase Compound ID | InyXPiLrITD |
|---|---|
| InChI | InChI=1S/C17H15F3S2/c1-12-3-7-14(8-4-12)21-16(11-17(18,19)20)22-15-9-5-13(2)6-10-15/h3-11H,1-2H3 |
| InChIKey | YMEUKJYUNYMYHH-UHFFFAOYSA-N |
| Mol Weight | 340.42 g/mol |
| Molecular Formula | C17H15F3S2 |
| Exact Mass | 340.056727 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lr80Pa4OkSV |
|---|---|
| Name | 4-(3,3,3-Trifluoro-1-1-(p-tolylthio)prop-1-en-ylthio)-1-methylbenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.056727320 u |
| Formula | C17H15F3S2 |
| InChI | InChI=1S/C17H15F3S2/c1-12-3-7-14(8-4-12)21-16(11-17(18,19)20)22-15-9-5-13(2)6-10-15/h3-11H,1-2H3 |
| InChIKey | YMEUKJYUNYMYHH-UHFFFAOYSA-N |
| Molecular Weight | 340.422 g/mol |
| SMILES | C(=CC(F)(F)F)(SC=1C=CC(=CC1)C)SC=1C=CC(=CC1)C |