| SpectraBase Compound ID | 4u2FpUecfgP |
|---|---|
| InChI | InChI=1S/C14H21BrN2O2S/c1-2-3-8-16-9-11-17(12-10-16)20(18,19)14-6-4-13(15)5-7-14/h4-7H,2-3,8-12H2,1H3 |
| InChIKey | XSWKENUNVGFSCU-UHFFFAOYSA-N |
| Mol Weight | 361.3 g/mol |
| Molecular Formula | C14H21BrN2O2S |
| Exact Mass | 360.050712 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HEfuMYUW8b5 |
|---|---|
| Name | 1-(4-Bromophenylsulfonyl)-4-butylpiperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.050712096 u |
| Formula | C14H21BrN2O2S |
| InChI | InChI=1S/C14H21BrN2O2S/c1-2-3-8-16-9-11-17(12-10-16)20(18,19)14-6-4-13(15)5-7-14/h4-7H,2-3,8-12H2,1H3 |
| InChIKey | XSWKENUNVGFSCU-UHFFFAOYSA-N |
| Molecular Weight | 361.298 g/mol |
| SMILES | C1N(S(=O)(=O)C2=CC=C(C=C2)Br)CCN(C1)CCCC |