![1,5-Dithiaspiro[5.6]dodecan-7-one](/api/spectrum/ATTA6GIxPYI/structure.png?h=300&w=458 "1,5-Dithiaspiro[5.6]dodecan-7-one")
| SpectraBase Compound ID | 6xG6dcoauFS |
|---|---|
| InChI | InChI=1S/C10H16OS2/c11-9-5-2-1-3-6-10(9)12-7-4-8-13-10/h1-8H2 |
| InChIKey | DUBAPSUXLUSSEM-UHFFFAOYSA-N |
| Mol Weight | 216.36 g/mol |
| Molecular Formula | C10H16OS2 |
| Exact Mass | 216.064257 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ATTA6GIxPYI |
|---|---|
| Name | 1,5-Dithiaspiro[5.6]dodecan-7-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.064257482 u |
| Formula | C10H16OS2 |
| InChI | InChI=1S/C10H16OS2/c11-9-5-2-1-3-6-10(9)12-7-4-8-13-10/h1-8H2 |
| InChIKey | DUBAPSUXLUSSEM-UHFFFAOYSA-N |
| Molecular Weight | 216.357 g/mol |
| SMILES | C1CC2(SCCCS2)C(=O)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975233 |