![1-[(4-Bromophenyl)sulfonyl]-4-propylpiperazine](/api/spectrum/JG3xmbtH3hq/structure.png?h=300&w=458 "1-[(4-Bromophenyl)sulfonyl]-4-propylpiperazine")
| SpectraBase Compound ID | Go1xJYdgNt |
|---|---|
| InChI | InChI=1S/C13H19BrN2O2S/c1-2-7-15-8-10-16(11-9-15)19(17,18)13-5-3-12(14)4-6-13/h3-6H,2,7-11H2,1H3 |
| InChIKey | ALGFRLJTFLRCKW-UHFFFAOYSA-N |
| Mol Weight | 347.27 g/mol |
| Molecular Formula | C13H19BrN2O2S |
| Exact Mass | 346.035062 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JG3xmbtH3hq |
|---|---|
| Name | 1-[(4-Bromophenyl)sulfonyl]-4-propylpiperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.035062032 u |
| Formula | C13H19BrN2O2S |
| InChI | InChI=1S/C13H19BrN2O2S/c1-2-7-15-8-10-16(11-9-15)19(17,18)13-5-3-12(14)4-6-13/h3-6H,2,7-11H2,1H3 |
| InChIKey | ALGFRLJTFLRCKW-UHFFFAOYSA-N |
| Molecular Weight | 347.271 g/mol |
| SMILES | C1N(S(=O)(=O)C2=CC=C(C=C2)Br)CCN(C1)CCC |