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2,4,6-tris(4-tert-butylphenyl)-4-[2,4,6-tris(4-tert-butylphenyl)phenoxy]-2,5-cyclohexadien-1-one
SpectraBase Compound ID In9DMazGz9i
InChI InChI=1S/C72H82O2/c1-66(2,3)53-29-19-47(20-30-53)52-43-60(48-21-31-54(32-22-48)67(4,5)6)65(61(44-52)49-23-33-55(34-24-49)68(7,8)9)74-72(59-41-39-58(40-42-59)71(16,17)18)45-62(50-25-35-56(36-26-50)69(10,11)12)64(73)63(46-72)51-27-37-57(38-28-51)70(13,14)15/h19-46H,1-18H3
InChIKey ATVVJGOVRCOBKW-UHFFFAOYSA-N
Mol Weight 979.4 g/mol
Molecular Formula C72H82O2
Exact Mass 978.631482 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7V36axtTVPY
Name 2,4,6-tris(4-tert-butylphenyl)-4-[2,4,6-tris(4-tert-butylphenyl)phenoxy]-2,5-cyclohexadien-1-one
Alternate Name(s) 2,4,6-tris(4-tert-butylphenyl)-4-[2,4,6-tris(4-tert-butylphenyl)phenoxy]cyclohexa-2,5-dien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C72H82O2
InChI InChI=1S/C72H82O2/c1-66(2,3)53-29-19-47(20-30-53)52-43-60(48-21-31-54(32-22-48)67(4,5)6)65(61(44-52)49-23-33-55(34-24-49)68(7,8)9)74-72(59-41-39-58(40-42-59)71(16,17)18)45-62(50-25-35-56(36-26-50)69(10,11)12)64(73)63(46-72)51-27-37-57(38-28-51)70(13,14)15/h19-46H,1-18H3
InChIKey ATVVJGOVRCOBKW-UHFFFAOYSA-N
Molecular Weight 979.446 g/mol
SMILES C1(C=C(c2ccc(C(C)(C)C)cc2)C(C(=C1)c1ccc(C(C)(C)C)cc1)=O)(Oc1c(cc(cc1-c1ccc(C(C)(C)C)cc1)-c1ccc(C(C)(C)C)cc1)-c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1
SPLASH splash10-054o-4000900000-d46b80660d66c4a059fa
Source of Spectrum K-111-269-0
Wiley ID 1418336