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1,12-bis(4'-Nitrophenyl)-3,4,9,10-tetrakis[(triisopropylsilyl)ethynyl]dodeca-3,9-diene-1,5,7,11-tetrayne
SpectraBase Compound ID JpU5Xmt2AAm
InChI InChI=1S/C68H92N2O4Si4/c1-49(2)75(50(3)4,51(5)6)45-41-63(65(35-29-61-31-37-67(38-32-61)69(71)72)43-47-77(55(13)14,56(15)16)57(17)18)27-25-26-28-64(42-46-76(52(7)8,53(9)10)54(11)12)66(36-30-62-33-39-68(40-34-62)70(73)74)44-48-78(58(19)20,59(21)22)60(23)24/h31-34,37-40,49-60H,1-24H3/b65-63-,66-64+
InChIKey KIHDULJVHPLSFJ-KXBKNFKZSA-N
Mol Weight 1113.8 g/mol
Molecular Formula C68H92N2O4Si4
Exact Mass 1112.613416 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Boaoo0rJuiR
Name 1,12-bis(4'-Nitrophenyl)-3,4,9,10-tetrakis[(triisopropylsilyl)ethynyl]dodeca-3,9-diene-1,5,7,11-tetrayne
Comments Removed - expert review: contamination (acetone))
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Formula C68H92N2O4Si4
InChI InChI=1S/C68H92N2O4Si4/c1-49(2)75(50(3)4,51(5)6)45-41-63(65(35-29-61-31-37-67(38-32-61)69(71)72)43-47-77(55(13)14,56(15)16)57(17)18)27-25-26-28-64(42-46-76(52(7)8,53(9)10)54(11)12)66(36-30-62-33-39-68(40-34-62)70(73)74)44-48-78(58(19)20,59(21)22)60(23)24/h31-34,37-40,49-60H,1-24H3/b65-63-,66-64+
InChIKey KIHDULJVHPLSFJ-KXBKNFKZSA-N
Molecular Weight 1113.834 g/mol
SMILES C(#C\C(C#Cc1ccc(N(=O)=O)cc1)=C/(C#C[Si](C(C)C)(C(C)C)C(C)C)C#CC#C\C(C#C[Si](C(C)C)(C(C)C)C(C)C)=C/(C#C[Si](C(C)C)(C(C)C)C(C)C)C#Cc1ccc(N(=O)=O)cc1)[Si](C(C)C)(C(C)C)C(C)C
SPLASH splash10-0a4i-9000000000-1d8de1731f352879f2ef
Source of Spectrum H-79-2278-53
Synonyms [(3E,8Z)-11-(4-nitrophenyl)-3-[1-(4-nitrophenyl)-5-[tris(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]-8,9-bis({2-[tris(propan-2-yl)silyl]ethynyl})undec-8-en-1,4,6,10-tetrayn-1-yl]tris(propan-2-yl))silane
Wiley ID 1418593