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2,6-Di-tert-butyl-4-{3,3-bis[4-methylphenyl]propadienylidene}-2,5-cyclohexadien-1-one (Quinopropadiene)
SpectraBase Compound ID 1jXTaIxOSD9
InChI InChI=1S/C31H34O/c1-21-9-14-24(15-10-21)26(25-16-11-22(2)12-17-25)18-13-23-19-27(30(3,4)5)29(32)28(20-23)31(6,7)8/h9-12,14-17,19-20H,1-8H3
InChIKey NMWCHAYHRGGYBU-UHFFFAOYSA-N
Mol Weight 422.6 g/mol
Molecular Formula C31H34O
Exact Mass 422.260966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID At1hl1TDx1K
Name 2,6-Di-tert-butyl-4-{3,3-bis[4-methylphenyl]propadienylidene}-2,5-cyclohexadien-1-one (Quinopropadiene)
Alternate Name(s) 4-[3,3-bis(4-methylphenyl)propa-1,2-dienylidene]-2,6-ditert-butyl-1-cyclohexa-2,5-dienone 4-[3,3-bis(4-methylphenyl)propa-1,2-dienylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one 4-[3,3-bis(4-methylphenyl)propa-1,2-dienylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one
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Formula C31H34O
InChI InChI=1S/C31H34O/c1-21-9-14-24(15-10-21)26(25-16-11-22(2)12-17-25)18-13-23-19-27(30(3,4)5)29(32)28(20-23)31(6,7)8/h9-12,14-17,19-20H,1-8H3
InChIKey NMWCHAYHRGGYBU-UHFFFAOYSA-N
Molecular Weight 422.612 g/mol
SMILES C=1(C(C(C(C)(C)C)=CC(=C=C=C(c2ccc(cc2)C)c2ccc(cc2)C)C1)=O)C(C)(C)C
SPLASH splash10-014i-0009700000-f37ec3934de1d8e7fedc
Source of Spectrum K1-2004-3094-2
Wiley ID 1561215