![1,3-Dithiane, 2-[2-(1,3-dioxolan-2-yl)ethyl]-](/api/spectrum/KeVMZDDqqpw/structure.png?h=300&w=458 "1,3-Dithiane, 2-[2-(1,3-dioxolan-2-yl)ethyl]-")
| SpectraBase Compound ID | BuVVp54FPGC |
|---|---|
| InChI | InChI=1S/C9H16O2S2/c1-6-12-9(13-7-1)3-2-8-10-4-5-11-8/h8-9H,1-7H2 |
| InChIKey | FNUIPVRBHUAXPA-UHFFFAOYSA-N |
| Mol Weight | 220.34 g/mol |
| Molecular Formula | C9H16O2S2 |
| Exact Mass | 220.059172 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KeVMZDDqqpw |
|---|---|
| Name | 1,3-Dithiane, 2-[2-(1,3-dioxolan-2-yl)ethyl]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.059172101 u |
| Formula | C9H16O2S2 |
| InChI | InChI=1S/C9H16O2S2/c1-6-12-9(13-7-1)3-2-8-10-4-5-11-8/h8-9H,1-7H2 |
| InChIKey | FNUIPVRBHUAXPA-UHFFFAOYSA-N |
| Molecular Weight | 220.345 g/mol |
| SMILES | C1OC(OC1)CCC1SCCCS1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.889101 |