![DIETHYL-[1,1-DIFLUORO-3-(3-R)-[(S)-ALPHA-METHOXY-ALPHA-(TRIFLUOROMETHYL)-PHENYLACETYL]-4-(OLEOYLOXY)-BUTYL]-PHOSPHONATE](/api/spectrum/2t3BB9f0Y27/structure.png?h=300&w=458 "DIETHYL-[1,1-DIFLUORO-3-(3-R)-[(S)-ALPHA-METHOXY-ALPHA-(TRIFLUOROMETHYL)-PHENYLACETYL]-4-(OLEOYLOXY)-BUTYL]-PHOSPHONATE")
| SpectraBase Compound ID | KZhqkpg4Bns |
|---|---|
| InChI | InChI=1S/C36H56F5O8P/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-32(42)46-29-31(28-34(37,38)50(44,47-6-2)48-7-3)49-33(43)35(45-4,36(39,40)41)30-25-22-21-23-26-30/h14-15,21-23,25-26,31H,5-13,16-20,24,27-29H2,1-4H3/b15-14+/t31-,35-/m1/s1 |
| InChIKey | MKNQSKURFGBLED-CMIQRPQUSA-N |
| Mol Weight | 742.8 g/mol |
| Molecular Formula | C36H56F5O8P |
| Exact Mass | 742.363297 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2t3BB9f0Y27 |
|---|---|
| Name | DIETHYL-[1,1-DIFLUORO-3-(3-R)-[(S)-ALPHA-METHOXY-ALPHA-(TRIFLUOROMETHYL)-PHENYLACETYL]-4-(OLEOYLOXY)-BUTYL]-PHOSPHONATE |
| Compound Number | 11B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56F5O8P |
| InChI | InChI=1S/C36H56F5O8P/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-32(42)46-29-31(28-34(37,38)50(44,47-6-2)48-7-3)49-33(43)35(45-4,36(39,40)41)30-25-22-21-23-26-30/h14-15,21-23,25-26,31H,5-13,16-20,24,27-29H2,1-4H3/b15-14+/t31-,35-/m1/s1 |
| InChIKey | MKNQSKURFGBLED-CMIQRPQUSA-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 | UWMZ25133 |