![DIETHYL-[1,1-DIFLUORO-3-(3-S),4-BIS-(OLEOYLOXY)-BUTYL]-PHOSPHONATE](/api/spectrum/2V9tvgRaRAB/structure.png?h=300&w=458 "DIETHYL-[1,1-DIFLUORO-3-(3-S),4-BIS-(OLEOYLOXY)-BUTYL]-PHOSPHONATE")
| SpectraBase Compound ID | 6djaTyrFe6w |
|---|---|
| InChI | InChI=1S/C44H81F2O7P/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(47)50-40-41(39-44(45,46)54(49,51-7-3)52-8-4)53-43(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h21-24,41H,5-20,25-40H2,1-4H3/b23-21+,24-22+/t41-/m0/s1 |
| InChIKey | MVDLGESEYWYVCL-HKBYIXSCSA-N |
| Mol Weight | 791.1 g/mol |
| Molecular Formula | C44H81F2O7P |
| Exact Mass | 790.568798 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2V9tvgRaRAB |
|---|---|
| Name | DIETHYL-[1,1-DIFLUORO-3-(3-S),4-BIS-(OLEOYLOXY)-BUTYL]-PHOSPHONATE |
| Compound Number | 9A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H81F2O7P |
| InChI | InChI=1S/C44H81F2O7P/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(47)50-40-41(39-44(45,46)54(49,51-7-3)52-8-4)53-43(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h21-24,41H,5-20,25-40H2,1-4H3/b23-21+,24-22+/t41-/m0/s1 |
| InChIKey | MVDLGESEYWYVCL-HKBYIXSCSA-N |
| Literature Reference Author | Y.XU,G.D.PRESTWICH |
| Literature Reference Citation | ORG.LETTERS,4,4021(2002) |
| Literature Reference DOI | 10.1021/ol026684s |
| Solvent | CDCl3 |
| Source File Reference | UWMZ25130 |