![2-[4-(Methylsulfonyl)-1-piperazinyl]aniline](/api/spectrum/8iTnVhfheIB/structure.png?h=300&w=458 "2-[4-(Methylsulfonyl)-1-piperazinyl]aniline")
| SpectraBase Compound ID | E6Xwm02zDvl |
|---|---|
| InChI | InChI=1S/C11H17N3O2S/c1-17(15,16)14-8-6-13(7-9-14)11-5-3-2-4-10(11)12/h2-5H,6-9,12H2,1H3 |
| InChIKey | BWTBCZJEEYEADG-UHFFFAOYSA-N |
| Mol Weight | 255.34 g/mol |
| Molecular Formula | C11H17N3O2S |
| Exact Mass | 255.104148 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8iTnVhfheIB |
|---|---|
| Name | 2-[4-(Methylsulfonyl)-1-piperazinyl]aniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.104147971 u |
| Formula | C11H17N3O2S |
| InChI | InChI=1S/C11H17N3O2S/c1-17(15,16)14-8-6-13(7-9-14)11-5-3-2-4-10(11)12/h2-5H,6-9,12H2,1H3 |
| InChIKey | BWTBCZJEEYEADG-UHFFFAOYSA-N |
| Molecular Weight | 255.336 g/mol |
| SMILES | NC1=C(N2CCN(S(=O)(=O)C)CC2)C=CC=C1 |