| SpectraBase Compound ID | 2NZcDCzCOWe |
|---|---|
| InChI | InChI=1S/C17H15NO2S/c1-14-9-11-16(12-10-14)21(19,20)18-13-5-8-17(18)15-6-3-2-4-7-15/h2-13H,1H3 |
| InChIKey | YSQVLPYCXHALBH-UHFFFAOYSA-N |
| Mol Weight | 297.37 g/mol |
| Molecular Formula | C17H15NO2S |
| Exact Mass | 297.08235 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HITG0HJctBp |
|---|---|
| Name | 1-(4-Methylphenyl)sulfonyl-2-phenyl-pyrrole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.082349899 u |
| Formula | C17H15NO2S |
| InChI | InChI=1S/C17H15NO2S/c1-14-9-11-16(12-10-14)21(19,20)18-13-5-8-17(18)15-6-3-2-4-7-15/h2-13H,1H3 |
| InChIKey | YSQVLPYCXHALBH-UHFFFAOYSA-N |
| SMILES | C=1(N(S(C=2C=CC(=CC2)C)(=O)=O)C=CC1)C1=CC=CC=C1 |