| SpectraBase Compound ID | 81wPpG7YY5o |
|---|---|
| InChI | InChI=1S/C27H43BF9N2O5PS2/c1-23(2,3)21(38-44-47(42,43)27(35,36)37)15-45(28,19-10-8-7-9-11-19)16-22(24(4,5)6)39-46(40,41)20-13-17(25(29,30)31)12-18(14-20)26(32,33)34/h12-14,19,21-22,38-39H,7-11,15-16H2,1-6,28H3/t21-,22+,45?/m1/s1 |
| InChIKey | LXVLBGAOMRQRSF-SJTWWESYSA-N |
| Mol Weight | 750.5 g/mol |
| Molecular Formula | C27H41BF9N2O5PS2 |
| Exact Mass | 750.214385 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BHWssMmcPfs |
|---|---|
| Name | LXVLBGAOMRQRSF-SJTWWESYSA-N |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H41BF9N2O5PS2 |
| InChI | InChI=1S/C27H43BF9N2O5PS2/c1-23(2,3)21(38-44-47(42,43)27(35,36)37)15-45(28,19-10-8-7-9-11-19)16-22(24(4,5)6)39-46(40,41)20-13-17(25(29,30)31)12-18(14-20)26(32,33)34/h12-14,19,21-22,38-39H,7-11,15-16H2,1-6,28H3/t21-,22+,45?/m1/s1 |
| InChIKey | LXVLBGAOMRQRSF-SJTWWESYSA-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 | UWLU50162 |