| SpectraBase Compound ID | F9EzjRwG7vf |
|---|---|
| InChI | InChI=1S/C8H16S2/c1-2-3-5-8-9-6-4-7-10-8/h8H,2-7H2,1H3 |
| InChIKey | SNFKIFRRRLEODN-UHFFFAOYSA-N |
| Mol Weight | 176.34 g/mol |
| Molecular Formula | C8H16S2 |
| Exact Mass | 176.069343 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7QNq8B1iOhh |
|---|---|
| Name | 2-Butyl-1,3-dithiane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.069342863 u |
| Formula | C8H16S2 |
| InChI | InChI=1S/C8H16S2/c1-2-3-5-8-9-6-4-7-10-8/h8H,2-7H2,1H3 |
| InChIKey | SNFKIFRRRLEODN-UHFFFAOYSA-N |
| Molecular Weight | 176.336 g/mol |
| SMILES | C1(SCCCS1)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.831589 |