| SpectraBase Compound ID | LkU4f8NWtIG |
|---|---|
| InChI | InChI=1S/C15H22N2S/c1-3-6-15(18)17-11-9-16(10-12-17)14-8-5-4-7-13(14)2/h4-5,7-8H,3,6,9-12H2,1-2H3 |
| InChIKey | RQJHSFNBWDDFOM-UHFFFAOYSA-N |
| Mol Weight | 262.41 g/mol |
| Molecular Formula | C15H22N2S |
| Exact Mass | 262.15037 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3pmoDZTEAxZ |
|---|---|
| Name | 1-Thiobutyryl-4-o-tolylpiperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.150369890 u |
| Formula | C15H22N2S |
| InChI | InChI=1S/C15H22N2S/c1-3-6-15(18)17-11-9-16(10-12-17)14-8-5-4-7-13(14)2/h4-5,7-8H,3,6,9-12H2,1-2H3 |
| InChIKey | RQJHSFNBWDDFOM-UHFFFAOYSA-N |
| Molecular Weight | 262.415 g/mol |
| SMILES | C=1C(=C(C=CC1)C)N1CCN(CC1)C(CCC)=S |