![1,4-Dithiaspiro[4.5]decan-8-one](/api/spectrum/JmbzOcue0RM/structure.png?h=300&w=458 "1,4-Dithiaspiro[4.5]decan-8-one")
| SpectraBase Compound ID | F07odw2s2ez |
|---|---|
| InChI | InChI=1S/C8H12OS2/c9-7-1-3-8(4-2-7)10-5-6-11-8/h1-6H2 |
| InChIKey | QNSQPJVENZHPMB-UHFFFAOYSA-N |
| Mol Weight | 188.3 g/mol |
| Molecular Formula | C8H12OS2 |
| Exact Mass | 188.032957 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JmbzOcue0RM |
|---|---|
| Name | 1,4-Dithiaspiro-[4.5]-decan-8-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.032957353 u |
| Formula | C8H12OS2 |
| InChI | InChI=1S/C8H12OS2/c9-7-1-3-8(4-2-7)10-5-6-11-8/h1-6H2 |
| InChIKey | QNSQPJVENZHPMB-UHFFFAOYSA-N |
| Molecular Weight | 188.303 g/mol |
| SMILES | C12(SCCS2)CCC(CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927146 |