![2-(1,5-Dimethylhexyl)-[1,3]dithiane](/api/spectrum/UoIqsM2iyh/structure.png?h=300&w=458 "2-(1,5-Dimethylhexyl)-[1,3]dithiane")
| SpectraBase Compound ID | 5QHv4XYQujk |
|---|---|
| InChI | InChI=1S/C12H24S2/c1-10(2)6-4-7-11(3)12-13-8-5-9-14-12/h10-12H,4-9H2,1-3H3 |
| InChIKey | NNDUZKSFNKQBRE-UHFFFAOYSA-N |
| Mol Weight | 232.44 g/mol |
| Molecular Formula | C12H24S2 |
| Exact Mass | 232.131943 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | UoIqsM2iyh |
|---|---|
| Name | 2-(1,5-Dimethylhexyl)-[1,3]dithiane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.131943121 u |
| Formula | C12H24S2 |
| InChI | InChI=1S/C12H24S2/c1-10(2)6-4-7-11(3)12-13-8-5-9-14-12/h10-12H,4-9H2,1-3H3 |
| InChIKey | NNDUZKSFNKQBRE-UHFFFAOYSA-N |
| Molecular Weight | 232.444 g/mol |
| SMILES | CC(C1SCCCS1)CCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.920287 |