| SpectraBase Compound ID | 1cbFeB3QqTl |
|---|---|
| InChI | InChI=1S/C36H55O2P/c1-25(2)31-19-17-27(5)21-35(31)39(36-22-28(6)18-20-32(36)26(3)4)34-16-12-11-15-30(34)23-38-33(24-37-7)29-13-9-8-10-14-29/h8-16,25-28,31-33,35-36H,17-24H2,1-7H3/t27-,28-,31+,32+,33-,35-,36-/m0/s1 |
| InChIKey | KKBHWFOITLVMIQ-ZKJRBWSXSA-N |
| Mol Weight | 550.8 g/mol |
| Molecular Formula | C36H55O2P |
| Exact Mass | 550.393968 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FsP4bFlAbNW |
|---|---|
| Name | (3S)-1-(2'-(DIMETHYLPHOSPHANYL)-PHENYL)-2,5-DIOXA-3-PHENYL-HEXAN |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H55O2P |
| InChI | InChI=1S/C36H55O2P/c1-25(2)31-19-17-27(5)21-35(31)39(36-22-28(6)18-20-32(36)26(3)4)34-16-12-11-15-30(34)23-38-33(24-37-7)29-13-9-8-10-14-29/h8-16,25-28,31-33,35-36H,17-24H2,1-7H3/t27-,28-,31+,32+,33-,35-,36-/m0/s1 |
| InChIKey | KKBHWFOITLVMIQ-ZKJRBWSXSA-N |
| Literature Reference Author | H.BRUNNER,T.RUECKERT |
| Literature Reference Citation | MH.CHEM.,129,339(1998) |
| Literature Reference DOI | 10.1007/pl00000092 |
| Molecular Weight | 550.805 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU2708 |