| SpectraBase Compound ID | 8sPvg79Jc7E |
|---|---|
| InChI | InChI=1S/C20H25N2O2.3C4H9.Sn/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;3*1-3-4-2;/h4-6,8,11,13-14,19-20,23H,1,3,7,9-10,12H2,2H3;3*1,3-4H2,2H3; |
| InChIKey | FPWBCYZCSWCNEN-UHFFFAOYSA-N |
| Mol Weight | 615.5 g/mol |
| Molecular Formula | C32H52N2O2Sn |
| Exact Mass | 616.305081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8KYuqNWVI06 |
|---|---|
| Name | Quinidine tributyltin adduct |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 616.305080920 u |
| Formula | C32H52N2O2Sn |
| InChI | InChI=1S/C20H25N2O2.3C4H9.Sn/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;3*1-3-4-2;/h4-6,8,11,13-14,19-20,23H,1,3,7,9-10,12H2,2H3;3*1,3-4H2,2H3; |
| InChIKey | FPWBCYZCSWCNEN-UHFFFAOYSA-N |
| Molecular Weight | 615.491 g/mol |
| SMILES | C1=2C(=CC(=CC2)OC)C(=CC=N1)C(O)C1N2CC(CC[Sn](CCCC)(CCCC)CCCC)C(C1)CC2 |