| SpectraBase Compound ID | KUMiDT457PR |
|---|---|
| InChI | InChI=1S/C7H8O2S/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,1H3,(H,8,9) |
| InChIKey | FXJVNINSOKCNJP-UHFFFAOYSA-N |
| Mol Weight | 156.2 g/mol |
| Molecular Formula | C7H8O2S |
| Exact Mass | 156.024501 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G09fROF9Iam |
|---|---|
| Name | 4-methylbenzenesulfinic acid |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C7H8O2S |
| InChI | InChI=1S/C7H8O2S/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,1H3,(H,8,9) |
| InChIKey | FXJVNINSOKCNJP-UHFFFAOYSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 156.199 g/mol |
| Source File Reference | MHKO9058 |