![2-Cyclohexen-1-one, 3-[[5-(tributylstannyl)-4-pentenyl]oxy]-, (E)-](/api/spectrum/3ScQhjMlrxq/structure.png?h=300&w=458 "2-Cyclohexen-1-one, 3-[[5-(tributylstannyl)-4-pentenyl]oxy]-, (E)-")
| SpectraBase Compound ID | KH3ZI0p19eA |
|---|---|
| InChI | InChI=1S/C11H15O2.3C4H9.Sn/c1-2-3-4-8-13-11-7-5-6-10(12)9-11;3*1-3-4-2;/h1-2,9H,3-8H2;3*1,3-4H2,2H3; |
| InChIKey | AAGSHBMRIGXFRK-UHFFFAOYSA-N |
| Mol Weight | 469.3 g/mol |
| Molecular Formula | C23H42O2Sn |
| Exact Mass | 470.220683 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ScQhjMlrxq |
|---|---|
| Name | 2-Cyclohexen-1-one, 3-[[5-(tributylstannyl)-4-pentenyl]oxy]-, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 470.220682590 u |
| Formula | C23H42O2Sn |
| InChI | InChI=1S/C11H15O2.3C4H9.Sn/c1-2-3-4-8-13-11-7-5-6-10(12)9-11;3*1-3-4-2;/h1-2,9H,3-8H2;3*1,3-4H2,2H3; |
| InChIKey | AAGSHBMRIGXFRK-UHFFFAOYSA-N |
| Molecular Weight | 469.298 g/mol |
| SMILES | C1=C(OCCC\C=C\[Sn](CCCC)(CCCC)CCCC)CCCC1=O |