| SpectraBase Compound ID | 4Gqy28JBLy6 |
|---|---|
| InChI | InChI=1S/C92H94F6N2O32/c1-51(102)35-42-64(105)116-50-63-70(124-65(106)43-36-52(2)103)72(129-88-79(126-81(109)58-31-19-9-20-32-58)73(117-46-54-23-11-5-12-24-54)75(125-66(107)44-37-53(3)104)77(131-88)83(111)119-48-56-27-15-7-16-28-56)68(100-90(114)92(96,97)98)86(123-63)130-76-74(118-47-55-25-13-6-14-26-55)80(127-82(110)59-33-21-10-22-34-59)87(132-78(76)84(112)120-49-57-29-17-8-18-30-57)128-71-67(99-89(113)91(93,94)95)85(122-62(45-101)69(71)108)121-61-40-38-60(115-4)39-41-61/h5-34,38-41,62-63,67-80,85-88,101,108H,35-37,42-50H2,1-4H3,(H,99,113)(H,100,114)/t62-,63-,67-,68-,69+,70+,71-,72-,73+,74+,75+,76+,77+,78+,79-,80-,85-,86+,87-,88-/m1/s1 |
| InChIKey | SKYMGWFFWVVLGM-FBTDUUMPSA-N |
| Mol Weight | 1853.7 g/mol |
| Molecular Formula | C92H94F6N2O32 |
| Exact Mass | 1852.569388 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ibt4JeaNKGw |
|---|---|
| Name | SKYMGWFFWVVLGM-FBTDUUMPSA-N |
| Compound Number | 34 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C92H94F6N2O32 |
| InChI | InChI=1S/C92H94F6N2O32/c1-51(102)35-42-64(105)116-50-63-70(124-65(106)43-36-52(2)103)72(129-88-79(126-81(109)58-31-19-9-20-32-58)73(117-46-54-23-11-5-12-24-54)75(125-66(107)44-37-53(3)104)77(131-88)83(111)119-48-56-27-15-7-16-28-56)68(100-90(114)92(96,97)98)86(123-63)130-76-74(118-47-55-25-13-6-14-26-55)80(127-82(110)59-33-21-10-22-34-59)87(132-78(76)84(112)120-49-57-29-17-8-18-30-57)128-71-67(99-89(113)91(93,94)95)85(122-62(45-101)69(71)108)121-61-40-38-60(115-4)39-41-61/h5-34,38-41,62-63,67-80,85-88,101,108H,35-37,42-50H2,1-4H3,(H,99,113)(H,100,114)/t62-,63-,67-,68-,69+,70+,71-,72-,73+,74+,75+,76+,77+,78+,79-,80-,85-,86+,87-,88-/m1/s1 |
| InChIKey | SKYMGWFFWVVLGM-FBTDUUMPSA-N |
| Literature Reference Author | G.MACCHIONE,S.MAZA,M.M.KAYSER,J.L.DEPAZ,P.M.NIETO |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2014,3868(2014) |
| Literature Reference DOI | 10.1002/ejoc.201402222 |
| Molecular Weight | 1853.743 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU85335 |