| SpectraBase Compound ID | 5idHSwsHaqc |
|---|---|
| InChI | InChI=1S/C11H9ClNO.3C4H9.Sn/c1-2-8(7-13)11(14)9-3-5-10(12)6-4-9;3*1-3-4-2;/h3-6,8H,1-2H2;3*1,3-4H2,2H3; |
| InChIKey | VHFIWYNFIGZPAO-UHFFFAOYSA-N |
| Mol Weight | 496.7 g/mol |
| Molecular Formula | C23H36ClNOSn |
| Exact Mass | 497.150744 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FkHOAmu790X |
|---|---|
| Name | Tributyl-3-cyano-3-(p-chlorobenzoyl)propyltin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 497.150744482 u |
| Formula | C23H36ClNOSn |
| InChI | InChI=1S/C11H9ClNO.3C4H9.Sn/c1-2-8(7-13)11(14)9-3-5-10(12)6-4-9;3*1-3-4-2;/h3-6,8H,1-2H2;3*1,3-4H2,2H3; |
| InChIKey | VHFIWYNFIGZPAO-UHFFFAOYSA-N |
| Molecular Weight | 496.711 g/mol |
| SMILES | C1=C(C=CC(=C1)Cl)C(C(C#N)CC[Sn](CCCC)(CCCC)CCCC)=O |