For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
#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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

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