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3-[4-[3-[3-[2-[2-[2-[2-[4-[2-[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]ethoxy]ethoxymethyl]benzyl]oxyethoxy]ethoxy]ethoxy]ethoxymethyl]isoxazol-5-yl]propoxy]-3,5-dimethyl-phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SpectraBase Compound ID 4AtRsY4WvXY
InChI InChI=1S/C60H74F6N6O16/c1-41-31-47(55-67-57(87-71-55)59(61,62)63)32-42(2)53(41)83-13-5-7-51-35-49(69-85-51)39-81-29-25-77-21-17-73-15-19-75-23-27-79-37-45-9-11-46(12-10-45)38-80-28-24-76-20-16-74-18-22-78-26-30-82-40-50-36-52(86-70-50)8-6-14-84-54-43(3)33-48(34-44(54)4)56-68-58(88-72-56)60(64,65)66/h9-12,31-36H,5-8,13-30,37-40H2,1-4H3
InChIKey FJCZXPJRTYBIGA-UHFFFAOYSA-N
Mol Weight 1249.3 g/mol
Molecular Formula C60H74F6N6O16
Exact Mass 1248.506549 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JOENH8s772s
Name 3-[4-[3-[3-[2-[2-[2-[2-[4-[2-[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]ethoxy]ethoxymethyl]benzyl]oxyethoxy]ethoxy]ethoxy]ethoxymethyl]isoxazol-5-yl]propoxy]-3,5-dimethyl-phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
Compound Number 53
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H74F6N6O16
InChI InChI=1S/C60H74F6N6O16/c1-41-31-47(55-67-57(87-71-55)59(61,62)63)32-42(2)53(41)83-13-5-7-51-35-49(69-85-51)39-81-29-25-77-21-17-73-15-19-75-23-27-79-37-45-9-11-46(12-10-45)38-80-28-24-76-20-16-74-18-22-78-26-30-82-40-50-36-52(86-70-50)8-6-14-84-54-43(3)33-48(34-44(54)4)56-68-58(88-72-56)60(64,65)66/h9-12,31-36H,5-8,13-30,37-40H2,1-4H3
InChIKey FJCZXPJRTYBIGA-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 UWSI20671