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HEXAKIS-(3,5-DI-TERT.-BUTYLPHENYL)-DIMETHYL-PEROXIDE;BIS-[TRI-(3,5-DI-TERT.-BUTYL)-PHENYLMETHYL]-PEROXIDE
SpectraBase Compound ID 5H8M0ANkPe1
InChI InChI=1S/C86H126O2/c1-73(2,3)55-37-56(74(4,5)6)44-67(43-55)85(68-45-57(75(7,8)9)38-58(46-68)76(10,11)12,69-47-59(77(13,14)15)39-60(48-69)78(16,17)18)87-88-86(70-49-61(79(19,20)21)40-62(50-70)80(22,23)24,71-51-63(81(25,26)27)41-64(52-71)82(28,29)30)72-53-65(83(31,32)33)42-66(54-72)84(34,35)36/h37-54H,1-36H3
InChIKey LGZFFBCGNBKBTK-UHFFFAOYSA-N
Mol Weight 1192.0 g/mol
Molecular Formula C86H126O2
Exact Mass 1190.975783 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ChkqlbnRg1
Name HEXAKIS-(3,5-DI-TERT.-BUTYLPHENYL)-DIMETHYL-PEROXIDE;BIS-[TRI-(3,5-DI-TERT.-BUTYL)-PHENYLMETHYL]-PEROXIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C86H126O2
InChI InChI=1S/C86H126O2/c1-73(2,3)55-37-56(74(4,5)6)44-67(43-55)85(68-45-57(75(7,8)9)38-58(46-68)76(10,11)12,69-47-59(77(13,14)15)39-60(48-69)78(16,17)18)87-88-86(70-49-61(79(19,20)21)40-62(50-70)80(22,23)24,71-51-63(81(25,26)27)41-64(52-71)82(28,29)30)72-53-65(83(31,32)33)42-66(54-72)84(34,35)36/h37-54H,1-36H3
InChIKey LGZFFBCGNBKBTK-UHFFFAOYSA-N
Literature Reference Author T.A.V.KHUONG,G.ZEPEDA,C.N.SANRAME,H.DANG,M.D.BARTBERGER,K.N. HOUK,M.A.GARCIA-GARI
Literature Reference Citation J.AM.CHEM.SOC.,126,14778(2004)
Literature Reference DOI 10.1021/ja046987c
Molecular Weight 1191.945 g/mol
Solvent CDCl3
Source File Reference UWLU34832