| SpectraBase Compound ID | 3TIs3pr3l0k |
|---|---|
| InChI | InChI=1S/C7H7IO3S/c1-5-2-3-6(4-7(5)8)12(9,10)11/h2-4H,1H3,(H,9,10,11) |
| InChIKey | MLJRYVDZHFAPGJ-UHFFFAOYSA-N |
| Mol Weight | 298.09 g/mol |
| Molecular Formula | C7H7IO3S |
| Exact Mass | 297.91606 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CUjs2iExoi9 |
|---|---|
| Name | 3-IODO-4-METHYL-BENZENESULFONIC-ACID |
| Compound Number | 221 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C7H7IO3S |
| InChI | InChI=1S/C7H7IO3S/c1-5-2-3-6(4-7(5)8)12(9,10)11/h2-4H,1H3,(H,9,10,11) |
| InChIKey | MLJRYVDZHFAPGJ-UHFFFAOYSA-N |
| Literature Reference Author | W.ROBIEN |
| Literature Reference Citation | W.ROBIEN,PRIVATE_COMMUNICATION |
| Molecular Weight | 298.095 g/mol |
| Sample ID | 3535 |
| Solvent | DMSO-D6 |