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2,5-Cyclohexadien-1-one, 4-[2,6-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene]-2,6-bis(1,1-dimethylethyl)-
SpectraBase Compound ID 6eXlLGBzMML
InChI InChI=1S/C28H40O2/c1-25(2,3)19-15-18(29)16-20(26(4,5)6)23(19)17-13-21(27(7,8)9)24(30)22(14-17)28(10,11)12/h13-16H,1-12H3
InChIKey LWIWHHNJXSAQAM-UHFFFAOYSA-N
Mol Weight 408.6 g/mol
Molecular Formula C28H40O2
Exact Mass 408.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BV5CZWPVGZd
Name 2,5-Cyclohexadien-1-one, 4-[2,6-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene]-2,6-bis(1,1-dimethylethyl)-
CAS Registry Number 74978-25-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H40O2
InChI InChI=1S/C28H40O2/c1-25(2,3)19-15-18(29)16-20(26(4,5)6)23(19)17-13-21(27(7,8)9)24(30)22(14-17)28(10,11)12/h13-16H,1-12H3
InChIKey LWIWHHNJXSAQAM-UHFFFAOYSA-N
Molecular Weight 408.626 g/mol
SMILES C(C)(C)(C)C=1C(C(C(C)(C)C)=CC(C1)=O)=C1C=C(C(C)(C)C)C(C(=C1)C(C)(C)C)=O
SPLASH splash10-0a4l-9002200000-03ff4b7d281d7b002802
Source of Spectrum W5-33952-31584-31584
Synonyms 2,6-Ditert-butyl-4-(2,6-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one 2,6-Ditert-butyl-4-(2,6-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one 2,6-Ditert-butyl-4-(2,6-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-1-cyclohexa-2,5-dienone 2,6-Ditert-butyl-4-(2,6-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one
Wiley ID 1373177