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2-Bromo-3,3',5,5'-tetra-tert-butyl biphenyl
SpectraBase Compound ID EBMPq42Sw5n
InChI InChI=1S/C28H41Br/c1-25(2,3)19-13-18(14-20(15-19)26(4,5)6)22-16-21(27(7,8)9)17-23(24(22)29)28(10,11)12/h13-17H,1-12H3
InChIKey OIEIRKHKXSHTHF-UHFFFAOYSA-N
Mol Weight 457.5 g/mol
Molecular Formula C28H41Br
Exact Mass 456.239164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CsqVekgSsSS
Name 2-bromo-3,3',5,5'-tetra(t-butyl)-biphenyl
CAS Registry Number 119337-36-9
Comments Less than 3 mono-isotopic peaks
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Formula C28H41Br
InChI InChI=1S/C28H41Br/c1-25(2,3)19-13-18(14-20(15-19)26(4,5)6)22-16-21(27(7,8)9)17-23(24(22)29)28(10,11)12/h13-17H,1-12H3
InChIKey OIEIRKHKXSHTHF-UHFFFAOYSA-N
Molecular Weight 457.540 g/mol
SMILES c1(c(c(C(C)(C)C)cc(c1)C(C)(C)C)Br)-c1cc(C(C)(C)C)cc(c1)C(C)(C)C
SPLASH splash10-0006-0000900000-aa95aa5e674a5e633eb8
Source of Spectrum K-122-1011-0
Synonyms 2-bromo-3,3',5,5'-tetratert-butyl-1,1'-biphenyl
Wiley ID 1389411