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(Z)-8,8'-(Ethene-1,2-diyl)bis(13-bromo-5-tert-butyl-[2.2]metaxyclophane)
SpectraBase Compound ID 9oN9BnWDyxF
InChI InChI=1S/C42H46Br2/c1-41(2,3)39-33-13-9-27-17-28(24-37(43)23-27)10-14-34(39)20-31(19-33)7-8-32-21-35-15-11-29-18-30(26-38(44)25-29)12-16-36(22-32)40(35)42(4,5)6/h7-8,17-26H,9-16H2,1-6H3/b8-7-
InChIKey UEFFKWOELWAGMO-FPLPWBNLSA-N
Mol Weight 710.6 g/mol
Molecular Formula C42H46Br2
Exact Mass 708.196627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 268E5TZe38V
Name (Z)-8,8'-(Ethene-1,2-diyl)bis(13-bromo-5-tert-butyl-[2.2]metaxyclophane)
Comments Less than 3 mono-isotopic peaks
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Formula C42H46Br2
InChI InChI=1S/C42H46Br2/c1-41(2,3)39-33-13-9-27-17-28(24-37(43)23-27)10-14-34(39)20-31(19-33)7-8-32-21-35-15-11-29-18-30(26-38(44)25-29)12-16-36(22-32)40(35)42(4,5)6/h7-8,17-26H,9-16H2,1-6H3/b8-7-
InChIKey UEFFKWOELWAGMO-FPLPWBNLSA-N
Molecular Weight 710.638 g/mol
SMILES c12c(c(CCc3cc(CC2)cc(c3)Br)cc(\C=C/c2cc3CCc4cc(cc(CCc(c2)c3C(C)(C)C)c4)Br)c1)C(C)(C)C
SPLASH splash10-03di-0000000900-834745ec720eab2141fb
Source of Spectrum J-61-5108-12
Synonyms 6-bromo-13-{(Z)-2-[13-bromo-16-tert-butyltricyclo[9.3.1.1(4,8)]hexadeca-1(15),4(16),5,7,11,13-hexaen-6-yl]ethenyl}-15-tert-butyltricyclo[9.3.1.1(4,8)]hexadeca-1(15),4(16),5,7,11,13-hexaene
Wiley ID 1415285