| SpectraBase Compound ID | KJ0kQfU8qba |
|---|---|
| InChI | InChI=1S/C8H9IO2S/c1-6-3-4-7(5-8(6)9)12(2,10)11/h3-5H,1-2H3 |
| InChIKey | JGYBXAURCQXJAC-UHFFFAOYSA-N |
| Mol Weight | 296.12 g/mol |
| Molecular Formula | C8H9IO2S |
| Exact Mass | 295.936796 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LC448buwRYl |
|---|---|
| Name | 3-IODO-4-(METHYLSULFONYL)-TOLUENE |
| Compound Number | 221 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C8H9IO2S |
| InChI | InChI=1S/C8H9IO2S/c1-6-3-4-7(5-8(6)9)12(2,10)11/h3-5H,1-2H3 |
| InChIKey | JGYBXAURCQXJAC-UHFFFAOYSA-N |
| Literature Reference Author | W.ROBIEN |
| Literature Reference Citation | W.ROBIEN,PRIVATE_COMMUNICATION |
| Molecular Weight | 296.123 g/mol |
| Sample ID | 3536 |
| Solvent | DMSO-D6 |