| SpectraBase Compound ID | G76HQr7W4QW |
|---|---|
| InChI | InChI=1S/C8H7NO2S2/c1-11-13(10)8-9-6-4-2-3-5-7(6)12-8/h2-5H,1H3 |
| InChIKey | DDJBTHSWGLMRLA-UHFFFAOYSA-N |
| Mol Weight | 213.27 g/mol |
| Molecular Formula | C8H7NO2S2 |
| Exact Mass | 212.991821 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | xppcUnT5k4 |
|---|---|
| Name | methyl 1,3-benzothiazole-2-sulfinate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H7NO2S2 |
| InChI | InChI=1S/C8H7NO2S2/c1-11-13(10)8-9-6-4-2-3-5-7(6)12-8/h2-5H,1H3 |
| InChIKey | DDJBTHSWGLMRLA-UHFFFAOYSA-N |
| Molecular Weight | 213.269 g/mol |
| SMILES | c1(sc2c(n1)cccc2)S(=O)OC |
| SPLASH | splash10-01t9-9080000000-b12b7f78aa9e5426383e |
| Source of Spectrum | SO-0-253-3 |
| Wiley ID | 1539883 |