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5,5'-Bis(3,5-di-tert-butyl-4-oxo-2,5-cyclohexadien-1-ylidene)-5,5'-dihydro-2,2'-bifuran
SpectraBase Compound ID HY12C5SpPrP
InChI InChI=1S/C36H44O4/c1-33(2,3)23-17-21(18-24(31(23)37)34(4,5)6)27-13-15-29(39-27)30-16-14-28(40-30)22-19-25(35(7,8)9)32(38)26(20-22)36(10,11)12/h13-20H,1-12H3/b30-29+
InChIKey TVAIDKBQZGBAOZ-QVIHXGFCSA-N
Mol Weight 540.7 g/mol
Molecular Formula C36H44O4
Exact Mass 540.32396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9bIa8ZM6Tpw
Name 5,5'-Bis(3,5-di-tert-butyl-4-oxo-2,5-cyclohexadien-1-ylidene)-5,5'-dihydro-2,2'-bifuran
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H44O4
InChI InChI=1S/C36H44O4/c1-33(2,3)23-17-21(18-24(31(23)37)34(4,5)6)27-13-15-29(39-27)30-16-14-28(40-30)22-19-25(35(7,8)9)32(38)26(20-22)36(10,11)12/h13-20H,1-12H3/b30-29+
InChIKey TVAIDKBQZGBAOZ-QVIHXGFCSA-N
Molecular Weight 540.744 g/mol
SMILES C=1(C(C(C(C)(C)C)=CC(C1)=C1O\C(=C/2OC(=C3C=C(C(C)(C)C)C(C(=C3)C(C)(C)C)=O)C=C2)C=C1)=O)C(C)(C)C
SPLASH splash10-0006-0000090000-b82ac6439374b23ef3a6
Source of Spectrum J-61-4790-5
Synonyms 2,6-ditert-butyl-4-[(5E)-5-[5-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-2-furanylidene]-2-furanylidene]-1-cyclohexa-2,5-dienone 2,6-ditert-butyl-4-[(5E)-5-[5-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)furan-2-ylidene]furan-2-ylidene]cyclohexa-2,5-dien-1-one 2,6-ditert-butyl-4-[(5E)-5-[5-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-2-furylidene]-2-furylidene]cyclohexa-2,5-dien-1-one 2,6-ditert-butyl-4-[(5E)-5-[5-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)furan-2-ylidene]furan-2-ylidene]cyclohexa-2,5-dien-1-one
Wiley ID 1404704