| SpectraBase Compound ID | LsZqf7YZ48m |
|---|---|
| InChI | InChI=1S/C8H6FNO2S/c9-7-1-3-8(4-2-7)13(11,12)6-5-10/h1-4H,6H2 |
| InChIKey | WBXJZTLPEMITJL-UHFFFAOYSA-N |
| Mol Weight | 199.2 g/mol |
| Molecular Formula | C8H6FNO2S |
| Exact Mass | 199.010328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JG5q6rtnRuF |
|---|---|
| Name | ((4-Fluorophenyl)sulfonyl)acetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.010327772 u |
| Formula | C8H6FNO2S |
| InChI | InChI=1S/C8H6FNO2S/c9-7-1-3-8(4-2-7)13(11,12)6-5-10/h1-4H,6H2 |
| InChIKey | WBXJZTLPEMITJL-UHFFFAOYSA-N |
| Molecular Weight | 199.199 g/mol |
| SMILES | C(S(C1=CC=C(C=C1)F)(=O)=O)C#N |