![Piperazine, 1-[(phenylmethyl)sulfonyl]-4-(propylsulfonyl)-](/api/spectrum/55wBvHIQ3FI/structure.png?h=300&w=458 "Piperazine, 1-[(phenylmethyl)sulfonyl]-4-(propylsulfonyl)-")
| SpectraBase Compound ID | 7eJubpydms1 |
|---|---|
| InChI | InChI=1S/C14H22N2O4S2/c1-2-12-21(17,18)15-8-10-16(11-9-15)22(19,20)13-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3 |
| InChIKey | RDMPSCMCELAGAV-UHFFFAOYSA-N |
| Mol Weight | 346.46 g/mol |
| Molecular Formula | C14H22N2O4S2 |
| Exact Mass | 346.1021 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 55wBvHIQ3FI |
|---|---|
| Name | Piperazine, 1-[(phenylmethyl)sulfonyl]-4-(propylsulfonyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.102099540 u |
| Formula | C14H22N2O4S2 |
| InChI | InChI=1S/C14H22N2O4S2/c1-2-12-21(17,18)15-8-10-16(11-9-15)22(19,20)13-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3 |
| InChIKey | RDMPSCMCELAGAV-UHFFFAOYSA-N |
| Molecular Weight | 346.460 g/mol |
| SMILES | C1=CC=C(C=C1)CS(N1CCN(S(CCC)(=O)=O)CC1)(=O)=O |