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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5a7aKHNU2Af
Name 2,6-Ditert-butyl-4,4-bis(3,5-ditert-butyl-4-hydroxy-benzyl)cyclohexa-2,5-dien-1-one
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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
Molecular Weight 643.009 g/mol
SMILES Oc1c(cc(CC2(Cc3cc(c(c(c3)C(C)(C)C)O)C(C)(C)C)C=C(C(C(C(C)(C)C)=C2)=O)C(C)(C)C)cc1C(C)(C)C)C(C)(C)C
SPLASH splash10-0avi-2140900000-b4d4d8bb239b428c8c51
Source of Spectrum IC-1297-0-0
Synonyms 2,6-Ditert-butyl-4,4-bis[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]cyclohexa-2,5-dien-1-one 2,6-Ditert-butyl-4,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1-cyclohexa-2,5-dienone 2,6-Ditert-butyl-4,4-bis[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]cyclohexa-2,5-dien-1-one
Wiley ID 1412773