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2,7-Bis[(E)-3',5'-di-tert-butylstyryl]biphenylene
SpectraBase Compound ID Iexs8HGSuJi
InChI InChI=1S/C44H52/c1-41(2,3)33-21-31(22-34(27-33)42(4,5)6)15-13-29-17-19-37-38-20-18-30(26-40(38)39(37)25-29)14-16-32-23-35(43(7,8)9)28-36(24-32)44(10,11)12/h13-28H,1-12H3/b15-13+,16-14+
InChIKey OYJWLRSIWJTCNS-WXUKJITCSA-N
Mol Weight 580.9 g/mol
Molecular Formula C44H52
Exact Mass 580.406902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KdYPJZ5tZg8
Name 2,7-Bis[(E)-3',5'-di-tert-butylstyryl]biphenylene
Alternate Name(s) 2,7-bis[(E)-2-(3,5-ditert-butylphenyl)ethenyl]biphenylene
Comments Less than 3 mono-isotopic peaks
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Formula C44H52
InChI InChI=1S/C44H52/c1-41(2,3)33-21-31(22-34(27-33)42(4,5)6)15-13-29-17-19-37-38-20-18-30(26-40(38)39(37)25-29)14-16-32-23-35(43(7,8)9)28-36(24-32)44(10,11)12/h13-28H,1-12H3/b15-13+,16-14+
InChIKey OYJWLRSIWJTCNS-WXUKJITCSA-N
Molecular Weight 580.900 g/mol
SMILES c12-c3cc(\C=C\c4cc(C(C)(C)C)cc(c4)C(C)(C)C)ccc3-c1ccc(\C=C\c1cc(C(C)(C)C)cc(c1)C(C)(C)C)c2
SPLASH splash10-001i-0000090000-9d0bcd37b6caea0c49c8
Source of Spectrum QA-44-218-1
Wiley ID 862365