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3-[4-[3-[3-[2-[2-[2-[2-[[5-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazol-5-yl]propoxy]-3,5-dimethylphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SpectraBase Compound ID DOb9v4ZnD6U
InChI InChI=1S/C44H50F6N6O11/c1-27-19-31(39-51-41(66-55-39)43(45,46)47)20-28(2)37(27)62-9-5-7-35-23-33(53-64-35)25-60-17-15-58-13-11-57-12-14-59-16-18-61-26-34-24-36(65-54-34)8-6-10-63-38-29(3)21-32(22-30(38)4)40-52-42(67-56-40)44(48,49)50/h19-24H,5-18,25-26H2,1-4H3
InChIKey YMBSYHFJZMESKO-UHFFFAOYSA-N
Mol Weight 952.9 g/mol
Molecular Formula C44H50F6N6O11
Exact Mass 952.344175 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9m3cphxVM0j
Name 3-[4-[3-[3-[2-[2-[2-[2-[[5-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazol-5-yl]propoxy]-3,5-dimethylphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
Compound Number 48
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H50F6N6O11
InChI InChI=1S/C44H50F6N6O11/c1-27-19-31(39-51-41(66-55-39)43(45,46)47)20-28(2)37(27)62-9-5-7-35-23-33(53-64-35)25-60-17-15-58-13-11-57-12-14-59-16-18-61-26-34-24-36(65-54-34)8-6-10-63-38-29(3)21-32(22-30(38)4)40-52-42(67-56-40)44(48,49)50/h19-24H,5-18,25-26H2,1-4H3
InChIKey YMBSYHFJZMESKO-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 UWSI20667