| SpectraBase Compound ID | GDoKSEEQ3sl |
|---|---|
| InChI | InChI=1S/C8H12O3S2/c9-6(2-3-7(10)11)8-12-4-1-5-13-8/h8H,1-5H2,(H,10,11) |
| InChIKey | HQGQAGDUWIHJQJ-UHFFFAOYSA-N |
| Mol Weight | 220.3 g/mol |
| Molecular Formula | C8H12O3S2 |
| Exact Mass | 220.022787 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IacwCSMrone |
|---|---|
| Name | 1,3-DITHIANE-2-BUTANOIC ACID, gamma-OXO- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H12O3S2 |
| InChI | InChI=1S/C8H12O3S2/c9-6(2-3-7(10)11)8-12-4-1-5-13-8/h8H,1-5H2,(H,10,11) |
| InChIKey | HQGQAGDUWIHJQJ-UHFFFAOYSA-N |
| Molecular Weight | 220.0225 |
| SMILES | OC(=O)CCC(=O)C1SCCCS1 |
| SPLASH | splash10-014i-8900000000-a8159728945e9e488039 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |