| SpectraBase Compound ID | F9Q7Kii6kYJ |
|---|---|
| InChI | InChI=1S/C9H8OS2/c10-7-5-11-8-3-1-2-4-9(8)12-6-7/h1-4H,5-6H2 |
| InChIKey | ABMDWNHPWICCJN-UHFFFAOYSA-N |
| Mol Weight | 196.28 g/mol |
| Molecular Formula | C9H8OS2 |
| Exact Mass | 196.001657 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6XhWC5b6pNf |
|---|---|
| Name | 1,5-benzodithiepin-3-one |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H8OS2 |
| InChI | InChI=1S/C9H8OS2/c10-7-5-11-8-3-1-2-4-9(8)12-6-7/h1-4H,5-6H2 |
| InChIKey | ABMDWNHPWICCJN-UHFFFAOYSA-N |
| Molecular Weight | 196.282 g/mol |
| SMILES | c12SCC(CSc2cccc1)=O |
| SPLASH | splash10-0udj-0900000000-983e5c7794837ebcb12b |
| Source of Spectrum | J-65-3288-2 |
| Wiley ID | 1532256 |