| SpectraBase Compound ID | BLAzAXWpHVZ |
|---|---|
| InChI | InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10) |
| InChIKey | JOXIMZWYDAKGHI-UHFFFAOYSA-N |
| Mol Weight | 172.2 g/mol |
| Molecular Formula | C7H8O3S |
| Exact Mass | 172.019415 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CE3BHFF5CEU |
|---|---|
| Name | TOLUENE-4-SULFONIC ACID |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H8O3S |
| InChI | InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10) |
| InChIKey | JOXIMZWYDAKGHI-UHFFFAOYSA-N |
| Molecular Weight | 172.0192 |
| SMILES | OS(=O)(=O)c1ccc(C)cc1 |
| SPLASH | splash10-0596-9400000000-2dd836f33bc9aa164336 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |