| SpectraBase Compound ID | 53EAvJykIDl |
|---|---|
| InChI | InChI=1S/C10H20S2/c1-2-3-4-5-7-10-11-8-6-9-12-10/h10H,2-9H2,1H3 |
| InChIKey | RWYGTXZKCNWDGC-UHFFFAOYSA-N |
| Mol Weight | 204.39 g/mol |
| Molecular Formula | C10H20S2 |
| Exact Mass | 204.100643 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JKKsQ39FvCj |
|---|---|
| Name | 1,3-Dithiacyclohexane, 2-hexyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.100642992 u |
| Formula | C10H20S2 |
| InChI | InChI=1S/C10H20S2/c1-2-3-4-5-7-10-11-8-6-9-12-10/h10H,2-9H2,1H3 |
| InChIKey | RWYGTXZKCNWDGC-UHFFFAOYSA-N |
| Molecular Weight | 204.390 g/mol |
| SMILES | C1(SCCCS1)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.849123 |