![3-[(4-Fluorophenyl)sulfanyl]-1-phenyl-2,5-pyrrolidinedione](/api/spectrum/DRoheN1OMWZ/structure.png?h=300&w=458 "3-[(4-Fluorophenyl)sulfanyl]-1-phenyl-2,5-pyrrolidinedione")
| SpectraBase Compound ID | Odoj2dfAsa |
|---|---|
| InChI | InChI=1S/C16H12FNO2S/c17-11-6-8-13(9-7-11)21-14-10-15(19)18(16(14)20)12-4-2-1-3-5-12/h1-9,14H,10H2 |
| InChIKey | PIIDYJWIQCUCFF-UHFFFAOYSA-N |
| Mol Weight | 301.34 g/mol |
| Molecular Formula | C16H12FNO2S |
| Exact Mass | 301.057278 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DRoheN1OMWZ |
|---|---|
| Name | 3-[(4-Fluorophenyl)sulfanyl]-1-phenyl-2,5-pyrrolidinedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.057277965 u |
| Formula | C16H12FNO2S |
| InChI | InChI=1S/C16H12FNO2S/c17-11-6-8-13(9-7-11)21-14-10-15(19)18(16(14)20)12-4-2-1-3-5-12/h1-9,14H,10H2 |
| InChIKey | PIIDYJWIQCUCFF-UHFFFAOYSA-N |
| Molecular Weight | 301.335 g/mol |
| SMILES | C1=CC=C(N2C(CC(C2=O)SC=2C=CC(F)=CC2)=O)C=C1 |