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4-Bromo-7,13,16-tris(trimethylsilylethynyl)[2.2]paracyclophane

View entire compound with spectra: 1 MS (GC)

4-Bromo-7,13,16-tris(trimethylsilylethynyl)[2.2]paracyclophane
SpectraBase Compound ID Il4fYusHBZZ
InChI InChI=1S/C31H39BrSi3/c1-33(2,3)17-14-27-21-25-12-13-30-22-29(16-19-35(7,8)9)26(23-31(30)32)11-10-24(27)20-28(25)15-18-34(4,5)6/h20-23H,10-13H2,1-9H3
InChIKey WKZPRGWVFCJGAT-UHFFFAOYSA-N
Mol Weight 575.8 g/mol
Molecular Formula C31H39BrSi3
Exact Mass 574.154294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KsNekJ0pcjN
Name 4-Bromo-7,13,16-tris(trimethylsilylethynyl)[2.2]paracyclophane
Alternate Name(s) {[15-bromo-11,13-bis[(trimethylsilyl)ethynyl]tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl]ethynyl}(trimethyl)silane
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Formula C31H39BrSi3
InChI InChI=1S/C31H39BrSi3/c1-33(2,3)17-14-27-21-25-12-13-30-22-29(16-19-35(7,8)9)26(23-31(30)32)11-10-24(27)20-28(25)15-18-34(4,5)6/h20-23H,10-13H2,1-9H3
InChIKey WKZPRGWVFCJGAT-UHFFFAOYSA-N
Molecular Weight 575.812 g/mol
SMILES C(#C[Si](C)(C)C)c1c2cc(c(c1)CCc1c(C#C[Si](C)(C)C)cc(c(C#C[Si](C)(C)C)c1)CC2)Br
SPLASH splash10-00di-9041410000-5dd6b895a6134e00a5e5
Source of Spectrum C5-2004-2758-38
Wiley ID 1617573