| SpectraBase Compound ID | G45476LsabV |
|---|---|
| InChI | InChI=1S/C12H22S2/c1-3-5-8-12(9-6-4-2)13-10-7-11-14-12/h3H,1,4-11H2,2H3 |
| InChIKey | UQLCSGGNEIBQCT-UHFFFAOYSA-N |
| Mol Weight | 230.43 g/mol |
| Molecular Formula | C12H22S2 |
| Exact Mass | 230.116293 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6hJIi7Bshib |
|---|---|
| Name | 2-(3'-Butenyl)-2-N-butyl-1,3-dithiane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.116293056 u |
| Formula | C12H22S2 |
| InChI | InChI=1S/C12H22S2/c1-3-5-8-12(9-6-4-2)13-10-7-11-14-12/h3H,1,4-11H2,2H3 |
| InChIKey | UQLCSGGNEIBQCT-UHFFFAOYSA-N |
| Molecular Weight | 230.428 g/mol |
| SMILES | C1(SCCCS1)(CCC=C)CCCC |