| SpectraBase Compound ID | K9bR2NhDLbh |
|---|---|
| InChI | InChI=1S/C9H14O2S2/c10-5-2-1-4-8-9(11)13-7-3-6-12-8/h5,8H,1-4,6-7H2 |
| InChIKey | KROAAULHVDDKML-UHFFFAOYSA-N |
| Mol Weight | 218.33 g/mol |
| Molecular Formula | C9H14O2S2 |
| Exact Mass | 218.043522 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5GxVaAtQXuQ |
|---|---|
| Name | 1,4-DITHIEPANE-2-BUTANAL, 3-OXO- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C9H14O2S2 |
| InChI | InChI=1S/C9H14O2S2/c10-5-2-1-4-8-9(11)13-7-3-6-12-8/h5,8H,1-4,6-7H2 |
| InChIKey | KROAAULHVDDKML-UHFFFAOYSA-N |
| Molecular Weight | 218.0432 |
| SMILES | C1SC(CCCC=O)C(=O)SCC1 |
| SPLASH | splash10-0aou-9500000000-43b975dd6ca665ed3b55 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |