![Benzene, 1-chloro-4-[[(fluoromethyl)thio]methyl]-](/api/spectrum/3biRcQW2BlN/structure.png?h=300&w=458 "Benzene, 1-chloro-4-[[(fluoromethyl)thio]methyl]-")
| SpectraBase Compound ID | IssH6xMybQB |
|---|---|
| InChI | InChI=1S/C8H8ClFS/c9-8-3-1-7(2-4-8)5-11-6-10/h1-4H,5-6H2 |
| InChIKey | RRXKEIOFKZKLMY-UHFFFAOYSA-N |
| Mol Weight | 190.66 g/mol |
| Molecular Formula | C8H8ClFS |
| Exact Mass | 190.001927 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3biRcQW2BlN |
|---|---|
| Name | Benzene, 1-chloro-4-[[(fluoromethyl)thio]methyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.001927295 u |
| Formula | C8H8ClFS |
| InChI | InChI=1S/C8H8ClFS/c9-8-3-1-7(2-4-8)5-11-6-10/h1-4H,5-6H2 |
| InChIKey | RRXKEIOFKZKLMY-UHFFFAOYSA-N |
| Molecular Weight | 190.663 g/mol |
| SMILES | C(SCC1=CC=C(C=C1)Cl)F |