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4-{4-[(11-{4-[2-(Triisopropylsilyl)ethynyl]phenoxy}undecyl)oxy]phenyl}benzonitrile
SpectraBase Compound ID 1fImM0tKJ0c
InChI InChI=1S/C41H55NO2Si/c1-33(2)45(34(3)4,35(5)6)31-28-36-18-24-40(25-19-36)43-29-14-12-10-8-7-9-11-13-15-30-44-41-26-22-39(23-27-41)38-20-16-37(32-42)17-21-38/h16-27,33-35H,7-15,29-30H2,1-6H3
InChIKey IDYFOEVOTVPRLZ-UHFFFAOYSA-N
Mol Weight 622.0 g/mol
Molecular Formula C41H55NO2Si
Exact Mass 621.400207 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2uKPZaKsobr
Name 4-{4-[(11-{4-[2-(Triisopropylsilyl)ethynyl]phenoxy}undecyl)oxy]phenyl}benzonitrile
Alternate Name(s) 4'-[(11-{4-[(triisopropylsilyl)ethynyl]phenoxy}undecyl)oxy][1,1'-biphenyl]-4-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C41H55NO2Si
InChI InChI=1S/C41H55NO2Si/c1-33(2)45(34(3)4,35(5)6)31-28-36-18-24-40(25-19-36)43-29-14-12-10-8-7-9-11-13-15-30-44-41-26-22-39(23-27-41)38-20-16-37(32-42)17-21-38/h16-27,33-35H,7-15,29-30H2,1-6H3
InChIKey IDYFOEVOTVPRLZ-UHFFFAOYSA-N
Molecular Weight 621.981 g/mol
SMILES C([Si](C(C)C)(C(C)C)C(C)C)#Cc1ccc(cc1)OCCCCCCCCCCCOc1ccc(cc1)-c1ccc(C#N)cc1
SPLASH splash10-004i-0000094000-b66df4a062bcf9e56c67
Source of Spectrum QE-7-3276-22
Wiley ID 845737