| SpectraBase Compound ID | AQNZrt2e6mJ |
|---|---|
| InChI | InChI=1S/C11H20OS2/c12-8-5-3-1-2-4-7-11-13-9-6-10-14-11/h8,11H,1-7,9-10H2 |
| InChIKey | VPTCGEKIEYXIEX-UHFFFAOYSA-N |
| Mol Weight | 232.4 g/mol |
| Molecular Formula | C11H20OS2 |
| Exact Mass | 232.095558 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1QKRmzlGAuh |
|---|---|
| Name | 7-(1,3-Dithian-2-yl)heptanal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.095557611 u |
| Formula | C11H20OS2 |
| InChI | InChI=1S/C11H20OS2/c12-8-5-3-1-2-4-7-11-13-9-6-10-14-11/h8,11H,1-7,9-10H2 |
| InChIKey | VPTCGEKIEYXIEX-UHFFFAOYSA-N |
| Molecular Weight | 232.400 g/mol |
| SMILES | C(CCCCCCC1SCCCS1)=O |