![4-Fluorophenyl-4'-[diethanolamino]phenyl sulfone](/api/spectrum/2xtVfS2WIYz/structure.png?h=300&w=458 "4-Fluorophenyl-4'-[diethanolamino]phenyl sulfone")
| SpectraBase Compound ID | FXn3oXxzkSk |
|---|---|
| InChI | InChI=1S/C16H18FNO4S/c17-13-1-5-15(6-2-13)23(21,22)16-7-3-14(4-8-16)18(9-11-19)10-12-20/h1-8,19-20H,9-12H2 |
| InChIKey | LRZZWAOAPDGSMP-UHFFFAOYSA-N |
| Mol Weight | 339.38 g/mol |
| Molecular Formula | C16H18FNO4S |
| Exact Mass | 339.094057 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2xtVfS2WIYz |
|---|---|
| Name | 4-Fluorophenyl-4'-[diethanolamino]phenyl sulfone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.094057397 u |
| Formula | C16H18FNO4S |
| InChI | InChI=1S/C16H18FNO4S/c17-13-1-5-15(6-2-13)23(21,22)16-7-3-14(4-8-16)18(9-11-19)10-12-20/h1-8,19-20H,9-12H2 |
| InChIKey | LRZZWAOAPDGSMP-UHFFFAOYSA-N |
| Molecular Weight | 339.381 g/mol |
| SMILES | C1(S(=O)(=O)C2=CC=C(C=C2)N(CCO)CCO)=CC=C(C=C1)F |