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2,6-Di-tert-butyl-4-[3,3-bis(4-chlorophenyl)propadienylidene]-2,5-cyclohexadien-1-one (Quinopropadiene)
SpectraBase Compound ID FgTV7P6QZ9B
InChI InChI=1S/C29H28Cl2O/c1-28(2,3)25-17-19(18-26(27(25)32)29(4,5)6)7-16-24(20-8-12-22(30)13-9-20)21-10-14-23(31)15-11-21/h8-15,17-18H,1-6H3
InChIKey UADYMYHRJFUWJA-UHFFFAOYSA-N
Mol Weight 463.45 g/mol
Molecular Formula C29H28Cl2O
Exact Mass 462.151721 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IHwKMBfSQZu
Name 2,6-Di-tert-butyl-4-[3,3-bis(4-chlorophenyl)propadienylidene]-2,5-cyclohexadien-1-one (Quinopropadiene)
Alternate Name(s) 4-[3,3-bis(4-chlorophenyl)propa-1,2-dienylidene]-2,6-ditert-butyl-1-cyclohexa-2,5-dienone 4-[3,3-bis(4-chlorophenyl)propa-1,2-dienylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one
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Formula C29H28Cl2O
InChI InChI=1S/C29H28Cl2O/c1-28(2,3)25-17-19(18-26(27(25)32)29(4,5)6)7-16-24(20-8-12-22(30)13-9-20)21-10-14-23(31)15-11-21/h8-15,17-18H,1-6H3
InChIKey UADYMYHRJFUWJA-UHFFFAOYSA-N
Molecular Weight 463.448 g/mol
SMILES C=1(C(C(C(C)(C)C)=CC(=C=C=C(c2ccc(cc2)Cl)c2ccc(cc2)Cl)C1)=O)C(C)(C)C
SPLASH splash10-0a4j-0000900000-dc27a8b87e2d52caa742
Source of Spectrum K1-2004-3095-2
Wiley ID 1561211