| SpectraBase Compound ID | CaurLQ0kysj |
|---|---|
| InChI | InChI=1S/C18H22N2O2S/c1-15-7-9-17(10-8-15)23(21,22)20-13-11-19(12-14-20)18-6-4-3-5-16(18)2/h3-10H,11-14H2,1-2H3 |
| InChIKey | DAOHTJRUMNXVJW-UHFFFAOYSA-N |
| Mol Weight | 330.45 g/mol |
| Molecular Formula | C18H22N2O2S |
| Exact Mass | 330.140199 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IpGrPOiucqu |
|---|---|
| Name | 1-(Toluene-4-sulfonyl)-4-o-tolyl-piperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.140199128 u |
| Formula | C18H22N2O2S |
| InChI | InChI=1S/C18H22N2O2S/c1-15-7-9-17(10-8-15)23(21,22)20-13-11-19(12-14-20)18-6-4-3-5-16(18)2/h3-10H,11-14H2,1-2H3 |
| InChIKey | DAOHTJRUMNXVJW-UHFFFAOYSA-N |
| Molecular Weight | 330.446 g/mol |
| SMILES | C1=CC=C(C(=C1)C)N1CCN(S(C=2C=CC(C)=CC2)(=O)=O)CC1 |