| SpectraBase Compound ID | fbosnlOgUP |
|---|---|
| InChI | InChI=1S/C16H12FNO3S/c1-11-5-6-12-3-2-4-15(16(12)18-11)21-22(19,20)14-9-7-13(17)8-10-14/h2-10H,1H3 |
| InChIKey | UBTNQEGGZPZUOV-UHFFFAOYSA-N |
| Mol Weight | 317.33 g/mol |
| Molecular Formula | C16H12FNO3S |
| Exact Mass | 317.052193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6z1KABx7Ikn |
|---|---|
| Name | 2-Methylquinolin-8-yl 4-fluorobenzenesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.052192584 u |
| Formula | C16H12FNO3S |
| InChI | InChI=1S/C16H12FNO3S/c1-11-5-6-12-3-2-4-15(16(12)18-11)21-22(19,20)14-9-7-13(17)8-10-14/h2-10H,1H3 |
| InChIKey | UBTNQEGGZPZUOV-UHFFFAOYSA-N |
| Molecular Weight | 317.334 g/mol |
| SMILES | C12=C(C=CC=C2C=CC(=N1)C)OS(C1=CC=C(C=C1)F)(=O)=O |