| SpectraBase Compound ID | HqGeBMD9rPp |
|---|---|
| InChI | InChI=1S/C7H7FO3S/c1-11-12(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3 |
| InChIKey | MBFSZLDWZHRFRI-UHFFFAOYSA-N |
| Mol Weight | 190.19 g/mol |
| Molecular Formula | C7H7FO3S |
| Exact Mass | 190.009993 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 106Kxzttrdu |
|---|---|
| Name | 4-Fluorophenylsulphonic_Acid-methylester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.009993419 u |
| Formula | C7H7FO3S |
| InChI | InChI=1S/C7H7FO3S/c1-11-12(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3 |
| InChIKey | MBFSZLDWZHRFRI-UHFFFAOYSA-N |
| Molecular Weight | 190.188 g/mol |
| SMILES | C=1(F)C=CC(=CC1)S(=O)(=O)OC |