![1-(2-Fluorophenyl)-4-[(phenylsulfanyl)acetyl]piperazine](/api/spectrum/z1wF1lKJRp/structure.png?h=300&w=458 "1-(2-Fluorophenyl)-4-[(phenylsulfanyl)acetyl]piperazine")
| SpectraBase Compound ID | 40isn1K76bC |
|---|---|
| InChI | InChI=1S/C18H19FN2OS/c19-16-8-4-5-9-17(16)20-10-12-21(13-11-20)18(22)14-23-15-6-2-1-3-7-15/h1-9H,10-14H2 |
| InChIKey | UCDBGIWEDNCWAI-UHFFFAOYSA-N |
| Mol Weight | 330.42 g/mol |
| Molecular Formula | C18H19FN2OS |
| Exact Mass | 330.120213 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | z1wF1lKJRp |
|---|---|
| Name | 1-(2-Fluorophenyl)-4-[(phenylsulfanyl)acetyl]piperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.120212576 u |
| Formula | C18H19FN2OS |
| InChI | InChI=1S/C18H19FN2OS/c19-16-8-4-5-9-17(16)20-10-12-21(13-11-20)18(22)14-23-15-6-2-1-3-7-15/h1-9H,10-14H2 |
| InChIKey | UCDBGIWEDNCWAI-UHFFFAOYSA-N |
| Molecular Weight | 330.421 g/mol |
| SMILES | C1=CC=C(SCC(N2CCN(CC2)C2=C(F)C=CC=C2)=O)C=C1 |