methanone](/api/spectrum/51xTbfIzwIy/structure.png?h=300&w=458 "[2-(4-Fluorobenzylsulfanyl)phenyl](morpholin-4-yl)methanone")
| SpectraBase Compound ID | FIWS05N28cU |
|---|---|
| InChI | InChI=1S/C18H18FNO2S/c19-15-7-5-14(6-8-15)13-23-17-4-2-1-3-16(17)18(21)20-9-11-22-12-10-20/h1-8H,9-13H2 |
| InChIKey | KRYYAONIVGFRHI-UHFFFAOYSA-N |
| Mol Weight | 331.41 g/mol |
| Molecular Formula | C18H18FNO2S |
| Exact Mass | 331.104228 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 51xTbfIzwIy |
|---|---|
| Name | [2-(4-Fluorobenzylsulfanyl)phenyl](morpholin-4-yl)methanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.104228159 u |
| Formula | C18H18FNO2S |
| InChI | InChI=1S/C18H18FNO2S/c19-15-7-5-14(6-8-15)13-23-17-4-2-1-3-16(17)18(21)20-9-11-22-12-10-20/h1-8H,9-13H2 |
| InChIKey | KRYYAONIVGFRHI-UHFFFAOYSA-N |
| Molecular Weight | 331.405 g/mol |
| SMILES | C(C1=C(SCC=2C=CC(=CC2)F)C=CC=C1)(N1CCOCC1)=O |