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(1E,4E)-1,5-bis(3,5-ditert-butyl-4-hydroxy-phenyl)penta-1,4-dien-3-one
SpectraBase Compound ID D0YImitUoHh
InChI InChI=1S/C33H46O3/c1-30(2,3)24-17-21(18-25(28(24)35)31(4,5)6)13-15-23(34)16-14-22-19-26(32(7,8)9)29(36)27(20-22)33(10,11)12/h13-20,35-36H,1-12H3/b15-13+,16-14+
InChIKey GJNRPVREQNPZFK-WXUKJITCSA-N
Mol Weight 490.7 g/mol
Molecular Formula C33H46O3
Exact Mass 490.344695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7pbbjRdzEYc
Name (1E,4E)-1,5-bis(3,5-ditert-butyl-4-hydroxy-phenyl)penta-1,4-dien-3-one
Alternate Name(s) (1E,4E)-1,5-bis(3,5-ditert-butyl-4-hydroxyphenyl)-3-penta-1,4-dienone (1E,4E)-1,5-bis(3,5-ditert-butyl-4-oxidanyl-phenyl)penta-1,4-dien-3-one
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Formula C33H46O3
InChI InChI=1S/C33H46O3/c1-30(2,3)24-17-21(18-25(28(24)35)31(4,5)6)13-15-23(34)16-14-22-19-26(32(7,8)9)29(36)27(20-22)33(10,11)12/h13-20,35-36H,1-12H3/b15-13+,16-14+
InChIKey GJNRPVREQNPZFK-WXUKJITCSA-N
Molecular Weight 490.728 g/mol
SMILES Oc1c(cc(\C=C\C(\C=C\c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)=O)cc1C(C)(C)C)C(C)(C)C
SPLASH splash10-0006-2000900000-b8735efddc78f55e8470
Source of Spectrum IC-1225-0-0
Wiley ID 1397351