| SpectraBase Compound ID | 7l5OQDWPb21 |
|---|---|
| InChI | InChI=1S/C9H18O2S2/c1-10-8-11-5-2-4-9-12-6-3-7-13-9/h9H,2-8H2,1H3 |
| InChIKey | VNEHEIFQYSMSCJ-UHFFFAOYSA-N |
| Mol Weight | 222.36 g/mol |
| Molecular Formula | C9H18O2S2 |
| Exact Mass | 222.074822 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Gxt6GKinLLo |
|---|---|
| Name | 2-(3-(Methoxymethoxy)propyl)-1,3-dithiane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.074822166 u |
| Formula | C9H18O2S2 |
| InChI | InChI=1S/C9H18O2S2/c1-10-8-11-5-2-4-9-12-6-3-7-13-9/h9H,2-8H2,1H3 |
| InChIKey | VNEHEIFQYSMSCJ-UHFFFAOYSA-N |
| Molecular Weight | 222.361 g/mol |
| SMILES | C1(SCCCS1)CCCOCOC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91361 |