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3,5-BIS-(2,4,6-TRI-TERT.-BUTYLPHENYL)-BROMOBENZENE
SpectraBase Compound ID 8vtc8gdOqbT
InChI InChI=1S/C42H61Br/c1-37(2,3)28-22-31(39(7,8)9)35(32(23-28)40(10,11)12)26-19-27(21-30(43)20-26)36-33(41(13,14)15)24-29(38(4,5)6)25-34(36)42(16,17)18/h19-25H,1-18H3
InChIKey IZIXJLDEPHPOQQ-UHFFFAOYSA-N
Mol Weight 645.9 g/mol
Molecular Formula C42H61Br
Exact Mass 644.395665 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KDzNJH3PxGj
Name 3,5-BIS-(2,4,6-TRI-TERT.-BUTYLPHENYL)-BROMOBENZENE
Compound Number HTBTBR
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H61Br
InChI InChI=1S/C42H61Br/c1-37(2,3)28-22-31(39(7,8)9)35(32(23-28)40(10,11)12)26-19-27(21-30(43)20-26)36-33(41(13,14)15)24-29(38(4,5)6)25-34(36)42(16,17)18/h19-25H,1-18H3
InChIKey IZIXJLDEPHPOQQ-UHFFFAOYSA-N
Literature Reference Author V.RITLENG,D.V.YANDULOV,W.W.WEARE,R.R.SCHROCK,A.S.HOCK,W.M.DA VIS
Literature Reference Citation J.AM.CHEM.SOC.,126,6150(2004)
Literature Reference DOI 10.1021/ja0306415
Molecular Weight 645.850 g/mol
Sample ID 36984
Solvent CDCl3