| SpectraBase Compound ID | 1uP7lJhfKq7 |
|---|---|
| InChI | InChI=1S/C27H40F9N2O5PS2/c1-23(2,3)21(37-43-46(41,42)27(34,35)36)15-44(19-10-8-7-9-11-19)16-22(24(4,5)6)38-45(39,40)20-13-17(25(28,29)30)12-18(14-20)26(31,32)33/h12-14,19,21-22,37-38H,7-11,15-16H2,1-6H3/t21-,22-,44?/m1/s1 |
| InChIKey | MYQIRRKOZMOBNI-JXZCOENLSA-N |
| Mol Weight | 738.7 g/mol |
| Molecular Formula | C27H40F9N2O5PS2 |
| Exact Mass | 738.197255 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CEw45geTLEB |
|---|---|
| Name | MYQIRRKOZMOBNI-JXZCOENLSA-N |
| Compound Number | 5B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H40F9N2O5PS2 |
| InChI | InChI=1S/C27H40F9N2O5PS2/c1-23(2,3)21(37-43-46(41,42)27(34,35)36)15-44(19-10-8-7-9-11-19)16-22(24(4,5)6)38-45(39,40)20-13-17(25(28,29)30)12-18(14-20)26(31,32)33/h12-14,19,21-22,37-38H,7-11,15-16H2,1-6H3/t21-,22-,44?/m1/s1 |
| InChIKey | MYQIRRKOZMOBNI-JXZCOENLSA-N |
| Literature Reference Author | A.P.DUNCAN,J.L.LEIGHTON |
| Literature Reference Citation | ORG.LETTERS,6,4117(2004) |
| Literature Reference DOI | 10.1021/ol048191o |
| Solvent | CDCl3 |
| Source File Reference | UWLU50165 |