| SpectraBase Compound ID | TM0xy5qKBc |
|---|---|
| InChI | InChI=1S/C12H15NO2S/c1-11-5-7-12(8-6-11)16(14,15)13-9-3-2-4-10-13/h2-3,5-8H,4,9-10H2,1H3 |
| InChIKey | ZMTDDBMFBZAZMT-UHFFFAOYSA-N |
| Mol Weight | 237.32 g/mol |
| Molecular Formula | C12H15NO2S |
| Exact Mass | 237.08235 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BdpLDy4RyNJ |
|---|---|
| Name | 1-(4-Methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.082349899 u |
| Formula | C12H15NO2S |
| InChI | InChI=1S/C12H15NO2S/c1-11-5-7-12(8-6-11)16(14,15)13-9-3-2-4-10-13/h2-3,5-8H,4,9-10H2,1H3 |
| InChIKey | ZMTDDBMFBZAZMT-UHFFFAOYSA-N |
| Molecular Weight | 237.317 g/mol |
| SMILES | C1N(S(C=2C=CC(=CC2)C)(=O)=O)CCC=C1 |