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4,4',4''-(7-{4-[2-(Trimethylsilyl)ethynyl]phenyl}adamantane-1,3,5-triyl)tribenzonitrile
SpectraBase Compound ID 5xyQwtycwYW
InChI InChI=1S/C42H37N3Si/c1-46(2,3)21-20-31-4-12-35(13-5-31)39-25-40(36-14-6-32(22-43)7-15-36)28-41(26-39,37-16-8-33(23-44)9-17-37)30-42(27-39,29-40)38-18-10-34(24-45)11-19-38/h4-19H,25-30H2,1-3H3/t39-,40+,41-,42+
InChIKey UOPANYDYLIXMPK-LDCYWHLHSA-N
Mol Weight 611.9 g/mol
Molecular Formula C42H37N3Si
Exact Mass 611.275675 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4RjgFYKdMGL
Name 4,4',4''-(7-{4-[2-(Trimethylsilyl)ethynyl]phenyl}adamantane-1,3,5-triyl)tribenzonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C42H37N3Si
InChI InChI=1S/C42H37N3Si/c1-46(2,3)21-20-31-4-12-35(13-5-31)39-25-40(36-14-6-32(22-43)7-15-36)28-41(26-39,37-16-8-33(23-44)9-17-37)30-42(27-39,29-40)38-18-10-34(24-45)11-19-38/h4-19H,25-30H2,1-3H3/t39-,40+,41-,42+
InChIKey UOPANYDYLIXMPK-LDCYWHLHSA-N
Molecular Weight 611.864 g/mol
SMILES [C@]12(C[C@@]3(c4ccc(C#N)cc4)CC(C1)(C[C@@](C2)(C3)c1ccc(C#N)cc1)c1ccc(C#C[Si](C)(C)C)cc1)c1ccc(C#N)cc1
SPLASH splash10-0002-0000093000-559870400d6c38496e26
Source of Spectrum U1-2010-2094-11
Synonyms 4-[3,5-bis(4-cyanophenyl)-7-[4-(2-trimethylsilylethynyl)phenyl]-1-adamantyl]benzenecarbonitrile
Wiley ID 1663662