| SpectraBase Compound ID | JnKPPdm675Q |
|---|---|
| InChI | InChI=1S/C7H4O4S/c8-7-5-3-1-2-4-6(5)12(9,10)11-7/h1-4H |
| InChIKey | NCYNKWQXFADUOZ-UHFFFAOYSA-N |
| Mol Weight | 184.16 g/mol |
| Molecular Formula | C7H4O4S |
| Exact Mass | 183.98303 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | foCGYq8hWX |
|---|---|
| Name | 3H-2,1-BENZOXATHIOL-3-ONE, 1,1-DIOXIDE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H4O4S |
| InChI | InChI=1S/C7H4O4S/c8-7-5-3-1-2-4-6(5)12(9,10)11-7/h1-4H |
| InChIKey | NCYNKWQXFADUOZ-UHFFFAOYSA-N |
| Instrument Name | 311A |
| Molecular Weight | 183.9829 |
| SMILES | c12C(=O)OS(=O)(=O)c1cccc2 |
| SPLASH | splash10-0umi-9300000000-a1a76beb9fe3a21bf7fb |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |