| SpectraBase Compound ID | K3sAFDaC5Nl |
|---|---|
| InChI | InChI=1S/C13H26S2/c1-3-5-6-7-10-13(9-4-2)14-11-8-12-15-13/h3-12H2,1-2H3 |
| InChIKey | ZKSSMQDKTKLAKO-UHFFFAOYSA-N |
| Mol Weight | 246.47 g/mol |
| Molecular Formula | C13H26S2 |
| Exact Mass | 246.147593 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3zjMohiah9a |
|---|---|
| Name | 1,3-Dithiane, 2-hexyl-2-propyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.147593185 u |
| Formula | C13H26S2 |
| InChI | InChI=1S/C13H26S2/c1-3-5-6-7-10-13(9-4-2)14-11-8-12-15-13/h3-12H2,1-2H3 |
| InChIKey | ZKSSMQDKTKLAKO-UHFFFAOYSA-N |
| Molecular Weight | 246.471 g/mol |
| SMILES | C1(SCCCS1)(CCC)CCCCCC |