| SpectraBase Compound ID | nhBgfa4Z0Q |
|---|---|
| InChI | InChI=1S/C9H16S2/c1-3-9(4-2)10-7-5-6-8-11-9/h5-6H,3-4,7-8H2,1-2H3 |
| InChIKey | HWPYLIILBVABDS-UHFFFAOYSA-N |
| Mol Weight | 188.35 g/mol |
| Molecular Formula | C9H16S2 |
| Exact Mass | 188.069343 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ESyWQouHuO4 |
|---|---|
| Name | 4,7-Dihydro-2,2-dimthyl-1,3-dithiepin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.069342863 u |
| Formula | C9H16S2 |
| InChI | InChI=1S/C9H16S2/c1-3-9(4-2)10-7-5-6-8-11-9/h5-6H,3-4,7-8H2,1-2H3 |
| InChIKey | HWPYLIILBVABDS-UHFFFAOYSA-N |
| Molecular Weight | 188.347 g/mol |
| SMILES | C1(SCC=CCS1)(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.846271 |