| SpectraBase Compound ID | E667oufYHd8 |
|---|---|
| InChI | InChI=1S/C18H20N2S/c21-18(17-9-5-2-6-10-17)20-13-11-19(12-14-20)15-16-7-3-1-4-8-16/h1-10H,11-15H2 |
| InChIKey | HLKOOYYSACZKLU-UHFFFAOYSA-N |
| Mol Weight | 296.43 g/mol |
| Molecular Formula | C18H20N2S |
| Exact Mass | 296.13472 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LT3U9yjNsqp |
|---|---|
| Name | 1-Benzenecarbothioyl-4-benzylpiperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.134719826 u |
| Formula | C18H20N2S |
| InChI | InChI=1S/C18H20N2S/c21-18(17-9-5-2-6-10-17)20-13-11-19(12-14-20)15-16-7-3-1-4-8-16/h1-10H,11-15H2 |
| InChIKey | HLKOOYYSACZKLU-UHFFFAOYSA-N |
| SMILES | C(=S)(C1=CC=CC=C1)N1CCN(CC2=CC=CC=C2)CC1 |