![1-Piperazineacetamide, 4-[(4-chlorophenyl)sulfonyl]-](/api/spectrum/JV07rL3BmqR/structure.png?h=300&w=458 "1-Piperazineacetamide, 4-[(4-chlorophenyl)sulfonyl]-")
| SpectraBase Compound ID | CVXZleVlLnq |
|---|---|
| InChI | InChI=1S/C12H16ClN3O3S/c13-10-1-3-11(4-2-10)20(18,19)16-7-5-15(6-8-16)9-12(14)17/h1-4H,5-9H2,(H2,14,17) |
| InChIKey | JWTRHEYCIAQPMW-UHFFFAOYSA-N |
| Mol Weight | 317.79 g/mol |
| Molecular Formula | C12H16ClN3O3S |
| Exact Mass | 317.06009 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JV07rL3BmqR |
|---|---|
| Name | 1-Piperazineacetamide, 4-[(4-chlorophenyl)sulfonyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.060090258 u |
| Formula | C12H16ClN3O3S |
| InChI | InChI=1S/C12H16ClN3O3S/c13-10-1-3-11(4-2-10)20(18,19)16-7-5-15(6-8-16)9-12(14)17/h1-4H,5-9H2,(H2,14,17) |
| InChIKey | JWTRHEYCIAQPMW-UHFFFAOYSA-N |
| Molecular Weight | 317.791 g/mol |
| SMILES | NC(CN1CCN(S(C=2C=CC(=CC2)Cl)(=O)=O)CC1)=O |