| SpectraBase Compound ID | 1tpkiP52OCG |
|---|---|
| InChI | InChI=1S/C12H8FNO4S/c13-9-1-5-11(6-2-9)19(17,18)12-7-3-10(4-8-12)14(15)16/h1-8H |
| InChIKey | SDZPRJDGUVYQNJ-UHFFFAOYSA-N |
| Mol Weight | 281.26 g/mol |
| Molecular Formula | C12H8FNO4S |
| Exact Mass | 281.015807 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3o7qn2OwVHX |
|---|---|
| Name | p-Fluorophenyl p-nitrophenyl sulfone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.015807075 u |
| Formula | C12H8FNO4S |
| InChI | InChI=1S/C12H8FNO4S/c13-9-1-5-11(6-2-9)19(17,18)12-7-3-10(4-8-12)14(15)16/h1-8H |
| InChIKey | SDZPRJDGUVYQNJ-UHFFFAOYSA-N |
| Molecular Weight | 281.257 g/mol |
| SMILES | C=1C=C(F)C=CC1S(C1=CC=C(C=C1)N(=O)=O)(=O)=O |