| SpectraBase Compound ID | LUnohgcg1va |
|---|---|
| InChI | InChI=1S/C31H48NO5P/c1-8-36-38(34,37-9-2)30-21-18-28(22-26(6)15-11-14-25(5)13-10-12-24(3)4)32(31(30)33)23-27-16-19-29(35-7)20-17-27/h12,14,16-17,19-20,22,28,30H,8-11,13,15,18,21,23H2,1-7H3/b25-14+,26-22+/t28?,30-/m1/s1 |
| InChIKey | GXSADDZCAINQAM-QQPJNMJPSA-N |
| Mol Weight | 545.7 g/mol |
| Molecular Formula | C31H48NO5P |
| Exact Mass | 545.327011 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8JbdbpaKM36 |
|---|---|
| Name | ALPHA-(DIETHOXYPHOSPHINYL)-1-(4-METHOXYPHENYLMETHYL)-6-(2,6,10-TRIMETHYL-1E,5E,9-UNDECATRIENYL)-PIPERIDIN-2-ONE |
| Compound Number | 29B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48NO5P |
| InChI | InChI=1S/C31H48NO5P/c1-8-36-38(34,37-9-2)30-21-18-28(22-26(6)15-11-14-25(5)13-10-12-24(3)4)32(31(30)33)23-27-16-19-29(35-7)20-17-27/h12,14,16-17,19-20,22,28,30H,8-11,13,15,18,21,23H2,1-7H3/b25-14+,26-22+/t28?,30-/m1/s1 |
| InChIKey | GXSADDZCAINQAM-QQPJNMJPSA-N |
| Literature Reference Author | Y.DU,D.F.WIEMER |
| Literature Reference Citation | J.ORG.CHEM.,67,5701(2002) |
| Literature Reference DOI | 10.1021/jo0202233 |
| Molecular Weight | 545.700 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI21699 |