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4,7,13,16-Tetrakis(4'-tert-butyl-2'-[trimethylsilyl]ethynylphenylethynyl)[2.2]paracyclophane
SpectraBase Compound ID 4v2mCxJjXil
InChI InChI=1S/C84H96Si4/c1-81(2,3)77-41-37-61(73(57-77)45-49-85(13,14)15)25-29-65-53-70-35-36-72-56-67(31-27-63-39-43-79(83(7,8)9)59-75(63)47-51-87(19,20)21)71(55-68(72)32-28-64-40-44-80(84(10,11)12)60-76(64)48-52-88(22,23)24)34-33-69(65)54-66(70)30-26-62-38-42-78(82(4,5)6)58-74(62)46-50-86(16,17)18/h37-44,53-60H,33-36H2,1-24H3
InChIKey AWTPARFALGFQHD-UHFFFAOYSA-N
Mol Weight 1218.0 g/mol
Molecular Formula C84H96Si4
Exact Mass 1216.658909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11WHmOigqGK
Name 4,7,13,16-Tetrakis(4'-tert-butyl-2'-[trimethylsilyl]ethynylphenylethynyl)[2.2]paracyclophane
Alternate Name(s) [2-(5-tert-butyl-2-{2-[11,13,15-tris(2-{4-tert-butyl-2-[2-(trimethylsilyl)ethynyl]phenyl}ethynyl)tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4(16),5,7(15),10,13-hexaen-5-yl]ethynyl}phenyl)ethynyl]trimethylsilane
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Formula C84H96Si4
InChI InChI=1S/C84H96Si4/c1-81(2,3)77-41-37-61(73(57-77)45-49-85(13,14)15)25-29-65-53-70-35-36-72-56-67(31-27-63-39-43-79(83(7,8)9)59-75(63)47-51-87(19,20)21)71(55-68(72)32-28-64-40-44-80(84(10,11)12)60-76(64)48-52-88(22,23)24)34-33-69(65)54-66(70)30-26-62-38-42-78(82(4,5)6)58-74(62)46-50-86(16,17)18/h37-44,53-60H,33-36H2,1-24H3
InChIKey AWTPARFALGFQHD-UHFFFAOYSA-N
Molecular Weight 1218.032 g/mol
SMILES C(#Cc1c(C#C[Si](C)(C)C)cc(cc1)C(C)(C)C)c1c2cc(C#Cc3c(C#C[Si](C)(C)C)cc(cc3)C(C)(C)C)c(c1)CCc1c(C#Cc3c(C#C[Si](C)(C)C)cc(cc3)C(C)(C)C)cc(c(C#Cc3c(C#C[Si](C)(C)C)cc(cc3)C(C)(C)C)c1)CC2
SPLASH splash10-00di-9340000000-f5b504aedc5fa98168e4
Source of Spectrum QE-12-7112-17
Wiley ID 1587330