| SpectraBase Compound ID | BY9eI9tEqtW |
|---|---|
| InChI | InChI=1S/C14H11F3S/c15-14(16,17)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9H,10H2 |
| InChIKey | GZRAXWKQMHUSCT-UHFFFAOYSA-N |
| Mol Weight | 268.3 g/mol |
| Molecular Formula | C14H11F3S |
| Exact Mass | 268.053356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 87famlsM8il |
|---|---|
| Name | 1-(Benzylthio)-4-(trifluoromethyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.053356017 u |
| Formula | C14H11F3S |
| InChI | InChI=1S/C14H11F3S/c15-14(16,17)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9H,10H2 |
| InChIKey | GZRAXWKQMHUSCT-UHFFFAOYSA-N |
| Molecular Weight | 268.297 g/mol |
| SMILES | C=1(SCC=2C=CC=CC2)C=CC(=CC1)C(F)(F)F |