![4-{[4-(4-Fluorophenyl)-1-piperazinyl]carbothioyl}phenol](/api/spectrum/AQb5wxg2zL/structure.png?h=300&w=458 "4-{[4-(4-Fluorophenyl)-1-piperazinyl]carbothioyl}phenol")
| SpectraBase Compound ID | FPVUnsw943T |
|---|---|
| InChI | InChI=1S/C17H17FN2OS/c18-14-3-5-15(6-4-14)19-9-11-20(12-10-19)17(22)13-1-7-16(21)8-2-13/h1-8,21H,9-12H2 |
| InChIKey | ICWKELSIJTZGSY-UHFFFAOYSA-N |
| Mol Weight | 316.39 g/mol |
| Molecular Formula | C17H17FN2OS |
| Exact Mass | 316.104563 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AQb5wxg2zL |
|---|---|
| Name | 4-{[4-(4-Fluorophenyl)-1-piperazinyl]carbothioyl}phenol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.104562511 u |
| Formula | C17H17FN2OS |
| InChI | InChI=1S/C17H17FN2OS/c18-14-3-5-15(6-4-14)19-9-11-20(12-10-19)17(22)13-1-7-16(21)8-2-13/h1-8,21H,9-12H2 |
| InChIKey | ICWKELSIJTZGSY-UHFFFAOYSA-N |
| Molecular Weight | 316.394 g/mol |
| SMILES | OC=1C=CC(C(N2CCN(CC2)C=2C=CC(=CC2)F)=S)=CC1 |