![1,5-Dithiaspiro-[5.5]-undecan-8-one](/api/spectrum/C1FpPrMe3kc/structure.png?h=300&w=458 "1,5-Dithiaspiro-[5.5]-undecan-8-one")
| SpectraBase Compound ID | 35rMHy320BD |
|---|---|
| InChI | InChI=1S/C9H14OS2/c10-8-3-1-4-9(7-8)11-5-2-6-12-9/h1-7H2 |
| InChIKey | SOLDNDUKCDDYLL-UHFFFAOYSA-N |
| Mol Weight | 202.33 g/mol |
| Molecular Formula | C9H14OS2 |
| Exact Mass | 202.048607 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C1FpPrMe3kc |
|---|---|
| Name | 1,5-Dithiaspiro-[5.5]-undecan-8-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.048607418 u |
| Formula | C9H14OS2 |
| InChI | InChI=1S/C9H14OS2/c10-8-3-1-4-9(7-8)11-5-2-6-12-9/h1-7H2 |
| InChIKey | SOLDNDUKCDDYLL-UHFFFAOYSA-N |
| Molecular Weight | 202.330 g/mol |
| SMILES | C12(SCCCS2)CC(=O)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979328 |