![4-Methylenespiro[cyclohexane-1,2'-dithiazole]](/api/spectrum/2l5cB9AXkF7/structure.png?h=300&w=458 "4-Methylenespiro[cyclohexane-1,2'-dithiazole]")
| SpectraBase Compound ID | ASQVqineE0G |
|---|---|
| InChI | InChI=1S/C9H14S2/c1-8-2-4-9(5-3-8)10-6-7-11-9/h1-7H2 |
| InChIKey | QTYBGFBZLBKSEP-UHFFFAOYSA-N |
| Mol Weight | 186.33 g/mol |
| Molecular Formula | C9H14S2 |
| Exact Mass | 186.053693 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2l5cB9AXkF7 |
|---|---|
| Name | 4-Methylenespiro[cyclohexane-1,2'-dithiazole] |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.053692799 u |
| Formula | C9H14S2 |
| InChI | InChI=1S/C9H14S2/c1-8-2-4-9(5-3-8)10-6-7-11-9/h1-7H2 |
| InChIKey | QTYBGFBZLBKSEP-UHFFFAOYSA-N |
| Molecular Weight | 186.331 g/mol |
| SMILES | C12(SCCS2)CCC(CC1)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921092 |