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3-[4-[3-[3-[2-[2-[2-[2-[2-[2-[4-[2-[2-[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]ethoxy]ethoxy]ethoxymethyl]benzyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]isoxazol-5-yl]propoxy]-3,5-dimethyl-phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SpectraBase Compound ID CVNpCvSdosp
InChI InChI=1S/C68H90F6N6O20/c1-49-39-55(63-75-65(99-79-63)67(69,70)71)40-50(2)61(49)95-13-5-7-59-43-57(77-97-59)47-93-37-33-89-29-25-85-21-17-81-15-19-83-23-27-87-31-35-91-45-53-9-11-54(12-10-53)46-92-36-32-88-28-24-84-20-16-82-18-22-86-26-30-90-34-38-94-48-58-44-60(98-78-58)8-6-14-96-62-51(3)41-56(42-52(62)4)64-76-66(100-80-64)68(72,73)74/h9-12,39-44H,5-8,13-38,45-48H2,1-4H3
InChIKey ZBXDVWYJCGOUGN-UHFFFAOYSA-N
Mol Weight 1425.5 g/mol
Molecular Formula C68H90F6N6O20
Exact Mass 1424.611408 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CAzrnvRfYp3
Name 3-[4-[3-[3-[2-[2-[2-[2-[2-[2-[4-[2-[2-[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]ethoxy]ethoxy]ethoxymethyl]benzyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]isoxazol-5-yl]propoxy]-3,5-dimethyl-phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
Compound Number 54
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C68H90F6N6O20
InChI InChI=1S/C68H90F6N6O20/c1-49-39-55(63-75-65(99-79-63)67(69,70)71)40-50(2)61(49)95-13-5-7-59-43-57(77-97-59)47-93-37-33-89-29-25-85-21-17-81-15-19-83-23-27-87-31-35-91-45-53-9-11-54(12-10-53)46-92-36-32-88-28-24-84-20-16-82-18-22-86-26-30-90-34-38-94-48-58-44-60(98-78-58)8-6-14-96-62-51(3)41-56(42-52(62)4)64-76-66(100-80-64)68(72,73)74/h9-12,39-44H,5-8,13-38,45-48H2,1-4H3
InChIKey ZBXDVWYJCGOUGN-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 UWSI20672