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2,5-Di{[(3,5-bis-trimethylsilylethynylphenyl)ethynylphenyl]ethynyl}thiophene
SpectraBase Compound ID K3ONiHIYBxo
InChI InChI=1S/C56H52SSi4/c1-58(2,3)35-31-51-39-49(40-52(43-51)32-36-59(4,5)6)23-21-45-13-17-47(18-14-45)25-27-55-29-30-56(57-55)28-26-48-19-15-46(16-20-48)22-24-50-41-53(33-37-60(7,8)9)44-54(42-50)34-38-61(10,11)12/h13-20,29-30,39-44H,1-12H3
InChIKey NIHZQMNHUOIGAI-UHFFFAOYSA-N
Mol Weight 869.4 g/mol
Molecular Formula C56H52SSi4
Exact Mass 868.286679 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D148s9m30zX
Name 2,5-Di{[(3,5-bis-trimethylsilylethynylphenyl)ethynylphenyl]ethynyl}thiophene
Alternate Name(s) {2-[3-(2-{4-[2-(5-{2-[4-(2-{3,5-bis[2-(trimethylsilyl)ethynyl]phenyl}ethynyl)phenyl]ethynyl}thiophen-2-yl)ethynyl]phenyl}ethynyl)-5-[2-(trimethylsilyl)ethynyl]phenyl]ethynyl}trimethylsilane
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C56H52SSi4
InChI InChI=1S/C56H52SSi4/c1-58(2,3)35-31-51-39-49(40-52(43-51)32-36-59(4,5)6)23-21-45-13-17-47(18-14-45)25-27-55-29-30-56(57-55)28-26-48-19-15-46(16-20-48)22-24-50-41-53(33-37-60(7,8)9)44-54(42-50)34-38-61(10,11)12/h13-20,29-30,39-44H,1-12H3
InChIKey NIHZQMNHUOIGAI-UHFFFAOYSA-N
Molecular Weight 869.432 g/mol
SMILES C(#Cc1ccc(C#Cc2cc(C#C[Si](C)(C)C)cc(C#C[Si](C)(C)C)c2)cc1)c1sc(C#Cc2ccc(C#Cc3cc(C#C[Si](C)(C)C)cc(C#C[Si](C)(C)C)c3)cc2)cc1
SPLASH splash10-014i-0000000090-4f66e93135674cc99f07
Source of Spectrum F-62-3121-27
Wiley ID 1632807