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1,1'-Biphenyl, 4,4'-bis[2-[3,5-bis(1,1-dimethylethyl)phenyl]ethenyl]-, (E,E)-
SpectraBase Compound ID HAIcmmf9LRY
InChI InChI=1S/C44H54/c1-41(2,3)37-25-33(26-38(29-37)42(4,5)6)15-13-31-17-21-35(22-18-31)36-23-19-32(20-24-36)14-16-34-27-39(43(7,8)9)30-40(28-34)44(10,11)12/h13-30H,1-12H3/b15-13+,16-14+
InChIKey RZUYSQBPYIOENX-WXUKJITCSA-N
Mol Weight 582.9 g/mol
Molecular Formula C44H54
Exact Mass 582.422552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1nelm5O1de7
Name 1,1'-Biphenyl, 4,4'-bis[2-[3,5-bis(1,1-dimethylethyl)phenyl]ethenyl]-, (E,E)-
Alternate Name(s) 4,4'-bis(3,5-di-tert-butylstyryl)biphenyl 4,4'-bis[(E)-2-(3,5-ditert-butylphenyl)ethenyl]-1,1'-biphenyl
CAS Registry Number 120926-78-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H54
InChI InChI=1S/C44H54/c1-41(2,3)37-25-33(26-38(29-37)42(4,5)6)15-13-31-17-21-35(22-18-31)36-23-19-32(20-24-36)14-16-34-27-39(43(7,8)9)30-40(28-34)44(10,11)12/h13-30H,1-12H3/b15-13+,16-14+
InChIKey RZUYSQBPYIOENX-WXUKJITCSA-N
Molecular Weight 582.916 g/mol
SMILES c1(cc(C(C)(C)C)cc(\C=C\c2ccc(-c3ccc(\C=C\c4cc(C(C)(C)C)cc(c4)C(C)(C)C)cc3)cc2)c1)C(C)(C)C
SPLASH splash10-0a59-9000070000-0e7aed1cd6127d9b7f46
Source of Spectrum C-113-2645-3
Wiley ID 1408729