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Di{4-[(3,5-bis-trimethylsilylethynylphenyl)ethynylphenyl)ethynylphenyl]ethynyl}ethyne
SpectraBase Compound ID 1u3mfEF1a8j
InChI InChI=1S/C66H58Si4/c1-67(2,3)43-39-63-47-61(48-64(51-63)40-44-68(4,5)6)37-35-59-31-27-57(28-32-59)25-23-55-19-15-53(16-20-55)13-14-54-17-21-56(22-18-54)24-26-58-29-33-60(34-30-58)36-38-62-49-65(41-45-69(7,8)9)52-66(50-62)42-46-70(10,11)12/h15-22,27-34,47-52H,1-12H3
InChIKey KKOKTHMRFYVXRS-UHFFFAOYSA-N
Mol Weight 963.5 g/mol
Molecular Formula C66H58Si4
Exact Mass 962.361558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1zzcflRT5j8
Name Di{4-[(3,5-bis-trimethylsilylethynylphenyl)ethynylphenyl)ethynylphenyl]ethynyl}ethyne
Alternate Name(s) 2-[3-[2-[4-[2-[4-[2-[4-[2-[4-[2-[3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-5-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
Comments Less than 3 mono-isotopic peaks
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Formula C66H58Si4
InChI InChI=1S/C66H58Si4/c1-67(2,3)43-39-63-47-61(48-64(51-63)40-44-68(4,5)6)37-35-59-31-27-57(28-32-59)25-23-55-19-15-53(16-20-55)13-14-54-17-21-56(22-18-54)24-26-58-29-33-60(34-30-58)36-38-62-49-65(41-45-69(7,8)9)52-66(50-62)42-46-70(10,11)12/h15-22,27-34,47-52H,1-12H3
InChIKey KKOKTHMRFYVXRS-UHFFFAOYSA-N
Molecular Weight 963.530 g/mol
SMILES C(#Cc1cc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccc(C#Cc5ccc(C#Cc6cc(C#C[Si](C)(C)C)cc(C#C[Si](C)(C)C)c6)cc5)cc4)cc3)cc2)cc(C#C[Si](C)(C)C)c1)[Si](C)(C)C
SPLASH splash10-03di-0000001009-df68c1877b6bae0ebd38
Source of Spectrum F-68-8126-15
Wiley ID 1573529