| SpectraBase Compound ID | CIFkCetp8hA |
|---|---|
| InChI | InChI=1S/C9H6O4S/c10-9(11)7-5-14(12,13)8-4-2-1-3-6(7)8/h1-5H,(H,10,11) |
| InChIKey | LUXHDWMANAJSNH-UHFFFAOYSA-N |
| Mol Weight | 210.2 g/mol |
| Molecular Formula | C9H6O4S |
| Exact Mass | 209.99868 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JJPGZ3IrfsA |
|---|---|
| Name | 1,1-DIOXO-BENZO[b]THIOPHENE-3-CARBOXYLIC ACID |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C9H6O4S |
| InChI | InChI=1S/C9H6O4S/c10-9(11)7-5-14(12,13)8-4-2-1-3-6(7)8/h1-5H,(H,10,11) |
| InChIKey | LUXHDWMANAJSNH-UHFFFAOYSA-N |
| Molecular Weight | 209.9985 |
| SMILES | OC(=O)C1=CS(=O)(=O)c2ccccc12 |
| SPLASH | splash10-0f8i-8900000000-d09a8cdd4e4c6c304b14 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |