![SODIUM-[1,1-DIFLUORO-3-(3-S),4-BIS-(OLEOYLOXY)-BUTYL]-PHOSPHONATE](/api/spectrum/CJPcYor8Rip/structure.png?h=300&w=458 "SODIUM-[1,1-DIFLUORO-3-(3-S),4-BIS-(OLEOYLOXY)-BUTYL]-PHOSPHONATE")
| SpectraBase Compound ID | G5m9HE5gHZj |
|---|---|
| InChI | InChI=1S/C40H73F2O7P.2Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(43)48-36-37(35-40(41,42)50(45,46)47)49-39(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h17-20,37H,3-16,21-36H2,1-2H3,(H2,45,46,47);;/q;2*+1/p-2/b19-17+,20-18+;;/t37-;;/m0../s1 |
| InChIKey | LUPHGZLFQFABQX-LKFFCOFOSA-L |
| Mol Weight | 778.95110689 g/mol |
| Molecular Formula | C40H71F2Na2O7P |
| Exact Mass | 778.470087 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CJPcYor8Rip |
|---|---|
| Name | SODIUM-[1,1-DIFLUORO-3-(3-S),4-BIS-(OLEOYLOXY)-BUTYL]-PHOSPHONATE |
| Compound Number | 10A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H71F2Na2O7P |
| InChI | InChI=1S/C40H73F2O7P.2Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(43)48-36-37(35-40(41,42)50(45,46)47)49-39(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h17-20,37H,3-16,21-36H2,1-2H3,(H2,45,46,47);;/q;2*+1/p-2/b19-17+,20-18+;;/t37-;;/m0../s1 |
| InChIKey | LUPHGZLFQFABQX-LKFFCOFOSA-L |
| 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 | UWMZ25129 |