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5,11,17,23,29,35-HEXA-TERT.-BUTYL-39,42-DIHYDROXY-37,38,40,41-TETRAKIS-[(4-NITROBENZOYL)-OXY]-CALIX-[6]-ARENE
SpectraBase Compound ID FXXtUsf1Nlf
InChI InChI=1S/C94H96N4O18/c1-89(2,3)69-41-57-35-61-45-71(91(7,8)9)49-65(81(61)113-85(101)53-19-27-75(28-20-53)95(105)106)39-67-51-73(93(13,14)15)47-63(83(67)115-87(103)55-23-31-77(32-24-55)97(109)110)37-59-43-70(90(4,5)6)44-60(80(59)100)38-64-48-74(94(16,17)18)52-68(84(64)116-88(104)56-25-33-78(34-26-56)98(111)112)40-66-50-72(92(10,11)12)46-62(36-58(42-69)79(57)99)82(66)114-86(102)54-21-29-76(30-22-54)96(107)108/h19-34,41-52,99-100H,35-40H2,1-18H3
InChIKey GPDUPOKISNCERJ-UHFFFAOYSA-N
Mol Weight 1569.8 g/mol
Molecular Formula C94H96N4O18
Exact Mass 1568.671962 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2OIK4UVfe3X
Name 5,11,17,23,29,35-HEXA-TERT.-BUTYL-39,42-DIHYDROXY-37,38,40,41-TETRAKIS-[(4-NITROBENZOYL)-OXY]-CALIX-[6]-ARENE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C94H96N4O18
InChI InChI=1S/C94H96N4O18/c1-89(2,3)69-41-57-35-61-45-71(91(7,8)9)49-65(81(61)113-85(101)53-19-27-75(28-20-53)95(105)106)39-67-51-73(93(13,14)15)47-63(83(67)115-87(103)55-23-31-77(32-24-55)97(109)110)37-59-43-70(90(4,5)6)44-60(80(59)100)38-64-48-74(94(16,17)18)52-68(84(64)116-88(104)56-25-33-78(34-26-56)98(111)112)40-66-50-72(92(10,11)12)46-62(36-58(42-69)79(57)99)82(66)114-86(102)54-21-29-76(30-22-54)96(107)108/h19-34,41-52,99-100H,35-40H2,1-18H3
InChIKey GPDUPOKISNCERJ-UHFFFAOYSA-N
Literature Reference Author J.S.ROGERS,C.D.GUTSCHE
Literature Reference Citation J.ORG.CHEM.,57,3152(1992)
Literature Reference DOI 10.1021/jo00037a036
Molecular Weight 1569.812 g/mol
Solvent CDCl3
Source File Reference UWCS3149