| SpectraBase Compound ID | 97nt0MiI0nq |
|---|---|
| InChI | InChI=1S/C36H34N2O8P2.2C16H36N/c1-47(41,42)45-33-18-14-29(15-19-33)27-6-10-31(11-7-27)35(39)37-23-25-4-3-5-26(22-25)24-38-36(40)32-12-8-28(9-13-32)30-16-20-34(21-17-30)46-48(2,43)44;2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h3-22H,23-24H2,1-2H3,(H,37,39)(H,38,40)(H,41,42)(H,43,44);2*5-16H2,1-4H3/q;2*+1/p-2 |
| InChIKey | RCBIIJKTNNEQFM-UHFFFAOYSA-L |
| Mol Weight | 1167.5 g/mol |
| Molecular Formula | C68H104N4O8P2 |
| Exact Mass | 1166.73294 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2fCQdUdr9UK |
|---|---|
| Name | 1,3-BIS-(4''-HYDROXYMETHYLPHOSPHINOYLOXYBIPHENYL-4'-CARBOXAMIDOMETHYL)-BENZENE-BIS-TETRABUTYLAMMONIUM-SALT |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H104N4O8P2 |
| InChI | InChI=1S/C36H34N2O8P2.2C16H36N/c1-47(41,42)45-33-18-14-29(15-19-33)27-6-10-31(11-7-27)35(39)37-23-25-4-3-5-26(22-25)24-38-36(40)32-12-8-28(9-13-32)30-16-20-34(21-17-30)46-48(2,43)44;2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h3-22H,23-24H2,1-2H3,(H,37,39)(H,38,40)(H,41,42)(H,43,44);2*5-16H2,1-4H3/q;2*+1/p-2 |
| InChIKey | RCBIIJKTNNEQFM-UHFFFAOYSA-L |
| Literature Reference Author | O.MOLT,D.RUEBELING,T.SCHRADER |
| Literature Reference Citation | J.AM.CHEM.SOC.,125,12086(2003) |
| Literature Reference DOI | 10.1021/ja035212l |
| Solvent | CD3OD |
| Source File Reference | UWLU50552 |