| SpectraBase Compound ID | 9pxV7VBxTZL |
|---|---|
| InChI | InChI=1S/C7H12ClO.3C4H9.Sn/c1-2-7(9)5-3-4-6-8;3*1-3-4-2;/h1-2,7,9H,3-6H2;3*1,3-4H2,2H3;/t7-;;;;/m1..../s1 |
| InChIKey | RSBJMMVEXVCYBV-GITXNKFESA-N |
| Mol Weight | 437.7 g/mol |
| Molecular Formula | C19H39ClOSn |
| Exact Mass | 438.171146 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JA527BD3HQ4 |
|---|---|
| Name | (S)-(E)-(-)-7-chloro-1-(tributylstannyl)-1-hepten-3-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 438.171145575 u |
| Formula | C19H39ClOSn |
| InChI | InChI=1S/C7H12ClO.3C4H9.Sn/c1-2-7(9)5-3-4-6-8;3*1-3-4-2;/h1-2,7,9H,3-6H2;3*1,3-4H2,2H3;/t7-;;;;/m1..../s1 |
| InChIKey | RSBJMMVEXVCYBV-GITXNKFESA-N |
| Molecular Weight | 437.684 g/mol |
| SMILES | C([Sn](\C=C\[C@@](O)(CCCCCl)[H])(CCCC)CCCC)CCC |