| SpectraBase Compound ID | GmEqp2aOauR |
|---|---|
| InChI | InChI=1S/C8H10O3S/c1-7-3-5-8(6-4-7)12(9,10)11-2/h3-6H,1-2H3 |
| InChIKey | VUQUOGPMUUJORT-UHFFFAOYSA-N |
| Mol Weight | 186.22 g/mol |
| Molecular Formula | C8H10O3S |
| Exact Mass | 186.035065 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 191pB72AiWe |
|---|---|
| Name | METHAN-D3-OL, 4-METHYLBENZENESULFONATE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H7O3SD3 |
| InChI | InChI=1S/C8H10O3S/c1-7-3-5-8(6-4-7)12(9,10)11-2/h3-6H,1-2H3 |
| InChIKey | VUQUOGPMUUJORT-UHFFFAOYSA-N |
| Molecular Weight | 186.0348 |
| SMILES | Cc1ccc(S(OC)(=O)=O)cc1 |
| SPLASH | splash10-0006-9400000000-a57986d114a8060fc97a |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |