| SpectraBase Compound ID | IbgOPBEHMWX |
|---|---|
| InChI | InChI=1S/C14H14O2S/c1-11-7-3-5-9-13(11)17(15,16)14-10-6-4-8-12(14)2/h3-10H,1-2H3 |
| InChIKey | KZCDMIJHGSSDFO-UHFFFAOYSA-N |
| Mol Weight | 246.32 g/mol |
| Molecular Formula | C14H14O2S |
| Exact Mass | 246.071451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2VSrg1glmcr |
|---|---|
| Name | Benzene, 1,1'-sulfonylbis[2-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.071450863 u |
| Formula | C14H14O2S |
| InChI | InChI=1S/C14H14O2S/c1-11-7-3-5-9-13(11)17(15,16)14-10-6-4-8-12(14)2/h3-10H,1-2H3 |
| InChIKey | KZCDMIJHGSSDFO-UHFFFAOYSA-N |
| Molecular Weight | 246.324 g/mol |
| SMILES | C1(S(=O)(=O)C2=C(C)C=CC=C2)=C(C)C=CC=C1 |