![1-[4-(Methylsulfonyl)phenyl]-1H-imidazole](/api/spectrum/BrFwQ1Y5pCh/structure.png?h=300&w=458 "1-[4-(Methylsulfonyl)phenyl]-1H-imidazole")
| SpectraBase Compound ID | 66Dn2fRL4F8 |
|---|---|
| InChI | InChI=1S/C10H10N2O2S/c1-15(13,14)10-4-2-9(3-5-10)12-7-6-11-8-12/h2-8H,1H3 |
| InChIKey | FXOACTJIQRKTQD-UHFFFAOYSA-N |
| Mol Weight | 222.26 g/mol |
| Molecular Formula | C10H10N2O2S |
| Exact Mass | 222.046299 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BrFwQ1Y5pCh |
|---|---|
| Name | 1-[4-(Methylsulfonyl)phenyl]-1H-imidazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.046298742 u |
| Formula | C10H10N2O2S |
| InChI | InChI=1S/C10H10N2O2S/c1-15(13,14)10-4-2-9(3-5-10)12-7-6-11-8-12/h2-8H,1H3 |
| InChIKey | FXOACTJIQRKTQD-UHFFFAOYSA-N |
| Molecular Weight | 222.262 g/mol |
| SMILES | C1=NC=CN1C=1C=CC(=CC1)S(=O)(=O)C |