![[Bis-2,3:4,5-(5,5'-dimethyl-2,3':2",3")thieno]cycloheptanone](/api/spectrum/s5N9rWJSir/structure.png?h=300&w=458 "[Bis-2,3:4,5-(5,5'-dimethyl-2,3':2\",3\")thieno]cycloheptanone")
| SpectraBase Compound ID | KnACSHXTb7U |
|---|---|
| InChI | InChI=1S/C13H12OS2/c1-7-5-9-3-4-11(14)10-6-8(2)16-13(10)12(9)15-7/h5-6H,3-4H2,1-2H3 |
| InChIKey | AQIRMBJHTVHGNE-UHFFFAOYSA-N |
| Mol Weight | 248.36 g/mol |
| Molecular Formula | C13H12OS2 |
| Exact Mass | 248.032957 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | s5N9rWJSir |
|---|---|
| Name | [Bis-2,3:4,5-(5,5'-dimethyl-2,3':2",3")thieno]cycloheptanone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H12OS2 |
| InChI | InChI=1S/C13H12OS2/c1-7-5-9-3-4-11(14)10-6-8(2)16-13(10)12(9)15-7/h5-6H,3-4H2,1-2H3 |
| InChIKey | AQIRMBJHTVHGNE-UHFFFAOYSA-N |
| Molecular Weight | 248.358 g/mol |
| SMILES | c-12c(cc(s2)C)C(CCc2c1sc(C)c2)=O |
| SPLASH | splash10-0a4v-9140000000-2b5d871aa47b01f5b2e2 |
| Source of Spectrum | Y1-31-450-5 |
| Wiley ID | 1525850 |