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4,6,16,18-TETRAKIS-(PARA-TOLYLSULPHONYLOXY)-10,12,22,24-TETRAKIS-(DIETHOXYPHOSPHOPRYLOXY)-2,8,14,20-(TETRAPENTYL)-CALIX-[4]-ARENE
SpectraBase Compound ID 1BjMySIc9WR
InChI InChI=1S/C92H124O28P4S4/c1-17-29-33-37-73-77-57-78(86(114-122(94,107-23-7)108-24-8)61-85(77)113-121(93,105-21-5)106-22-6)74(38-34-30-18-2)83-60-84(92(120-128(103,104)72-55-47-68(16)48-56-72)64-91(83)119-127(101,102)71-53-45-67(15)46-54-71)76(40-36-32-20-4)80-58-79(87(115-123(95,109-25-9)110-26-10)62-88(80)116-124(96,111-27-11)112-28-12)75(39-35-31-19-3)82-59-81(73)89(117-125(97,98)69-49-41-65(13)42-50-69)63-90(82)118-126(99,100)70-51-43-66(14)44-52-70/h41-64,73-76H,17-40H2,1-16H3/t73-,74-,75-,76-/m0/s1
InChIKey IVFJSNHHIQRKEH-OABUWXRUSA-N
Mol Weight 1930.1 g/mol
Molecular Formula C92H124O28P4S4
Exact Mass 1928.611246 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2EMDuP9N3DK
Name 4,6,16,18-TETRAKIS-(PARA-TOLYLSULPHONYLOXY)-10,12,22,24-TETRAKIS-(DIETHOXYPHOSPHOPRYLOXY)-2,8,14,20-(TETRAPENTYL)-CALIX-[4]-ARENE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C92H124O28P4S4
InChI InChI=1S/C92H124O28P4S4/c1-17-29-33-37-73-77-57-78(86(114-122(94,107-23-7)108-24-8)61-85(77)113-121(93,105-21-5)106-22-6)74(38-34-30-18-2)83-60-84(92(120-128(103,104)72-55-47-68(16)48-56-72)64-91(83)119-127(101,102)71-53-45-67(15)46-54-71)76(40-36-32-20-4)80-58-79(87(115-123(95,109-25-9)110-26-10)62-88(80)116-124(96,111-27-11)112-28-12)75(39-35-31-19-3)82-59-81(73)89(117-125(97,98)69-49-41-65(13)42-50-69)63-90(82)118-126(99,100)70-51-43-66(14)44-52-70/h41-64,73-76H,17-40H2,1-16H3/t73-,74-,75-,76-/m0/s1
InChIKey IVFJSNHHIQRKEH-OABUWXRUSA-N
Literature Reference Author O.LUKIN,A.SHIVANYUK,V.V.PIROZHENKO,I.F.TSYMBAL,V.I.KALCHENKO
Literature Reference Citation J.ORG.CHEM.,63,9510(1998)
Literature Reference DOI 10.1021/jo981751a
Solvent ACETONE-D6
Source File Reference UWMZ26302