![#35;TERT.-BUTYL-2-[2-[2-[3-[4-[1-[2-[(4R,6S)-6-[2-(BENZYLOXY)-ETHYL]-2,2-DIMETHYL-1,3-DIOXAN-4-YL]-ETHYL]-5-(4-FLUOROPHENYL)-2-ISOPROPYL-4-PHENYL-1H-PYRROLE-3-](/api/spectrum/LvweZHNvKyB/structure.png?h=300&w=458 "#35;TERT.-BUTYL-2-[2-[2-[3-[4-[1-[2-[(4R,6S)-6-[2-(BENZYLOXY)-ETHYL]-2,2-DIMETHYL-1,3-DIOXAN-4-YL]-ETHYL]-5-(4-FLUOROPHENYL)-2-ISOPROPYL-4-PHENYL-1H-PYRROLE-3-")
| SpectraBase Compound ID | HSrUuxBTcom |
|---|---|
| InChI | InChI=1S/C58H75FN2O10/c1-42(2)54-53(56(63)60-48-26-20-43(21-27-48)17-14-31-64-33-34-65-35-36-66-37-38-68-41-51(62)71-57(3,4)5)52(45-18-12-9-13-19-45)55(46-22-24-47(59)25-23-46)61(54)30-28-49-39-50(70-58(6,7)69-49)29-32-67-40-44-15-10-8-11-16-44/h8-13,15-16,18-27,42,49-50H,14,17,28-41H2,1-7H3,(H,60,63)/t49-,50+/m1/s1 |
| InChIKey | IMHGCMGALWRDNW-DJBVYZKNSA-N |
| Mol Weight | 979.2 g/mol |
| Molecular Formula | C58H75FN2O10 |
| Exact Mass | 978.540575 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LvweZHNvKyB |
|---|---|
| Name | #35;TERT.-BUTYL-2-[2-[2-[3-[4-[1-[2-[(4R,6S)-6-[2-(BENZYLOXY)-ETHYL]-2,2-DIMETHYL-1,3-DIOXAN-4-YL]-ETHYL]-5-(4-FLUOROPHENYL)-2-ISOPROPYL-4-PHENYL-1H-PYRROLE-3- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H75FN2O10 |
| InChI | InChI=1S/C58H75FN2O10/c1-42(2)54-53(56(63)60-48-26-20-43(21-27-48)17-14-31-64-33-34-65-35-36-66-37-38-68-41-51(62)71-57(3,4)5)52(45-18-12-9-13-19-45)55(46-22-24-47(59)25-23-46)61(54)30-28-49-39-50(70-58(6,7)69-49)29-32-67-40-44-15-10-8-11-16-44/h8-13,15-16,18-27,42,49-50H,14,17,28-41H2,1-7H3,(H,60,63)/t49-,50+/m1/s1 |
| InChIKey | IMHGCMGALWRDNW-DJBVYZKNSA-N |
| Literature Reference Author | P.SAWANT,M.E.MAIER |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2012,6576(2012) |
| Molecular Weight | 979.239 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU83693 |