![4-[(4-Phenyl-1-piperazinyl)carbothioyl]phenol](/api/spectrum/LUKqqZIpqpu/structure.png?h=300&w=458 "4-[(4-Phenyl-1-piperazinyl)carbothioyl]phenol")
| SpectraBase Compound ID | 8ixWkHtPA1M |
|---|---|
| InChI | InChI=1S/C17H18N2OS/c20-16-8-6-14(7-9-16)17(21)19-12-10-18(11-13-19)15-4-2-1-3-5-15/h1-9,20H,10-13H2 |
| InChIKey | XFJXLWYGPCGPAI-UHFFFAOYSA-N |
| Mol Weight | 298.4 g/mol |
| Molecular Formula | C17H18N2OS |
| Exact Mass | 298.113984 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LUKqqZIpqpu |
|---|---|
| Name | 4-[(4-Phenyl-1-piperazinyl)carbothioyl]phenol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.113984381 u |
| Formula | C17H18N2OS |
| InChI | InChI=1S/C17H18N2OS/c20-16-8-6-14(7-9-16)17(21)19-12-10-18(11-13-19)15-4-2-1-3-5-15/h1-9,20H,10-13H2 |
| InChIKey | XFJXLWYGPCGPAI-UHFFFAOYSA-N |
| SMILES | OC1=CC=C(C(N2CCN(CC2)C=2C=CC=CC2)=S)C=C1 |