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2,6-Di-tert-butyl-4,4-bis(3,5-di-tert-butyl-4-hydroxy-benzyl)-2,5-cyclhexadienone

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2,6-Di-tert-butyl-4,4-bis(3,5-di-tert-butyl-4-hydroxy-benzyl)-2,5-cyclhexadienone
SpectraBase Compound ID FCzyLgBiNQU
InChI InChI=1S/C44H66O3/c1-38(2,3)29-19-27(20-30(35(29)45)39(4,5)6)23-44(25-33(42(13,14)15)37(47)34(26-44)43(16,17)18)24-28-21-31(40(7,8)9)36(46)32(22-28)41(10,11)12/h19-22,25-26,45-46H,23-24H2,1-18H3
InChIKey RMDQNDGDHVFELV-UHFFFAOYSA-N
Mol Weight 643.0 g/mol
Molecular Formula C44H66O3
Exact Mass 642.501196 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ToeHcApNLW
Name 2,6-Di-tert-butyl-4,4-bis(3,5-di-tert-butyl-4-hydroxy-benzyl)-2,5-cyclhexadienone
CAS Registry Number 62078-82-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C44H66O3
InChI InChI=1S/C44H66O3/c1-38(2,3)29-19-27(20-30(35(29)45)39(4,5)6)23-44(25-33(42(13,14)15)37(47)34(26-44)43(16,17)18)24-28-21-31(40(7,8)9)36(46)32(22-28)41(10,11)12/h19-22,25-26,45-46H,23-24H2,1-18H3
InChIKey RMDQNDGDHVFELV-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference D.W. Chasar, J.C. Westfahl, J. Org. Chem. 42, 2177 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3