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3-[4-[3-[3-[2-[2-[2-[4-[2-[2-[2-[[5-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]isoxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]benzyl]oxyethoxy]ethoxy]ethoxymethyl]isoxazol-5-yl]propoxy]-3,5-dimethyl-phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SpectraBase Compound ID JHICW6xEUVE
InChI InChI=1S/C56H66F6N6O14/c1-37-27-43(51-63-53(81-67-51)55(57,58)59)28-38(2)49(37)77-13-5-7-47-31-45(65-79-47)35-75-25-21-71-17-15-69-19-23-73-33-41-9-11-42(12-10-41)34-74-24-20-70-16-18-72-22-26-76-36-46-32-48(80-66-46)8-6-14-78-50-39(3)29-44(30-40(50)4)52-64-54(82-68-52)56(60,61)62/h9-12,27-32H,5-8,13-26,33-36H2,1-4H3
InChIKey LVIPXSQYBBEPNL-UHFFFAOYSA-N
Mol Weight 1161.2 g/mol
Molecular Formula C56H66F6N6O14
Exact Mass 1160.45412 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IWuyLV1Dfjf
Name 3-[4-[3-[3-[2-[2-[2-[4-[2-[2-[2-[[5-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]isoxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]benzyl]oxyethoxy]ethoxy]ethoxymethyl]isoxazol-5-yl]propoxy]-3,5-dimethyl-phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
Compound Number 52
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H66F6N6O14
InChI InChI=1S/C56H66F6N6O14/c1-37-27-43(51-63-53(81-67-51)55(57,58)59)28-38(2)49(37)77-13-5-7-47-31-45(65-79-47)35-75-25-21-71-17-15-69-19-23-73-33-41-9-11-42(12-10-41)34-74-24-20-70-16-18-72-22-26-76-36-46-32-48(80-66-46)8-6-14-78-50-39(3)29-44(30-40(50)4)52-64-54(82-68-52)56(60,61)62/h9-12,27-32H,5-8,13-26,33-36H2,1-4H3
InChIKey LVIPXSQYBBEPNL-UHFFFAOYSA-N
Literature Reference Author G.Y.KRIPPNER,D.K.CHALMERS,P.C.STANISLAWSKI,S.P.TUCKER,K.G.WA TSON
Literature Reference Citation AUSTR.J.CHEM.,57,553(2004)
Literature Reference DOI 10.1071/CH03295
Solvent ACETONE-D6
Source File Reference UWSI20670