| SpectraBase Compound ID | Jvf2FpJzakE |
|---|---|
| InChI | InChI=1S/C17H17ClN2S/c18-15-8-4-5-9-16(15)19-10-12-20(13-11-19)17(21)14-6-2-1-3-7-14/h1-9H,10-13H2 |
| InChIKey | QVKAHOANJGNMNE-UHFFFAOYSA-N |
| Mol Weight | 316.85 g/mol |
| Molecular Formula | C17H17ClN2S |
| Exact Mass | 316.080097 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F76XAHTPm78 |
|---|---|
| Name | 1-(o-Chlorophenyl)-4-thiobenzylpiperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.080097429 u |
| Formula | C17H17ClN2S |
| InChI | InChI=1S/C17H17ClN2S/c18-15-8-4-5-9-16(15)19-10-12-20(13-11-19)17(21)14-6-2-1-3-7-14/h1-9H,10-13H2 |
| InChIKey | QVKAHOANJGNMNE-UHFFFAOYSA-N |
| Molecular Weight | 316.850 g/mol |
| SMILES | C=1C(=C(C=CC1)Cl)N1CCN(CC1)C(=S)C=1C=CC=CC1 |