![Tributyl 3-cyano-3-[3,4-dichlorobenzoyl]propyl tin](/api/spectrum/8PxHJdJiTIq/structure.png?h=300&w=458 "Tributyl 3-cyano-3-[3,4-dichlorobenzoyl]propyl tin")
| SpectraBase Compound ID | 9cBv40vw8Hm |
|---|---|
| InChI | InChI=1S/C11H8Cl2NO.3C4H9.Sn/c1-2-7(6-14)11(15)8-3-4-9(12)10(13)5-8;3*1-3-4-2;/h3-5,7H,1-2H2;3*1,3-4H2,2H3; |
| InChIKey | WWMNDZAVXILGPV-UHFFFAOYSA-N |
| Mol Weight | 531.2 g/mol |
| Molecular Formula | C23H35Cl2NOSn |
| Exact Mass | 531.111772 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8PxHJdJiTIq |
|---|---|
| Name | Tributyl 3-cyano-3-[3,4-dichlorobenzoyl]propyl tin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 531.111772150 u |
| Formula | C23H35Cl2NOSn |
| InChI | InChI=1S/C11H8Cl2NO.3C4H9.Sn/c1-2-7(6-14)11(15)8-3-4-9(12)10(13)5-8;3*1-3-4-2;/h3-5,7H,1-2H2;3*1,3-4H2,2H3; |
| InChIKey | WWMNDZAVXILGPV-UHFFFAOYSA-N |
| Molecular Weight | 531.156 g/mol |
| SMILES | C1=C(C=CC(=C1Cl)Cl)C(C(C#N)CC[Sn](CCCC)(CCCC)CCCC)=O |