| SpectraBase Compound ID | 7JIgK5MZez8 |
|---|---|
| InChI | InChI=1S/C11H16O4S/c1-8-4-6-11(7-5-8)16(13,14)15-10(3)9(2)12/h4-7,9-10,12H,1-3H3 |
| InChIKey | NRGLMPBJGLWMEB-UHFFFAOYSA-N |
| Mol Weight | 244.3 g/mol |
| Molecular Formula | C11H16O4S |
| Exact Mass | 244.07693 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EOmkvrUZxJz |
|---|---|
| Name | TOLUENE-4-SULFONIC ACID 2-HYDROXY-1-METHYL-PROPYL ESTER |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C11H16O4S |
| InChI | InChI=1S/C11H16O4S/c1-8-4-6-11(7-5-8)16(13,14)15-10(3)9(2)12/h4-7,9-10,12H,1-3H3 |
| InChIKey | NRGLMPBJGLWMEB-UHFFFAOYSA-N |
| Molecular Weight | 244.0765 |
| SMILES | OC(C)C(C)OS(=O)(=O)c1ccc(C)cc1 |
| SPLASH | splash10-052f-9400000000-7ef4f3139e23d4a2dc48 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |