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1,3-bis(3',6'-Dioxocyclohexa-1',4'-dienyl)-2,4-bis(2",6"-dichlorophenyl)cyclobutane
SpectraBase Compound ID AUPCqC8ds6T
InChI InChI=1S/C28H16Cl4O4/c29-17-3-1-4-18(30)25(17)27-23(15-11-13(33)7-9-21(15)35)28(26-19(31)5-2-6-20(26)32)24(27)16-12-14(34)8-10-22(16)36/h1-12,23-24,27-28H
InChIKey IZQHZYOPIYJHCY-UHFFFAOYSA-N
Mol Weight 558.2 g/mol
Molecular Formula C28H16Cl4O4
Exact Mass 555.98027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GIPYbWDOR03
Name 1,3-bis(3',6'-Dioxocyclohexa-1',4'-dienyl)-2,4-bis(2",6"-dichlorophenyl)cyclobutane
Alternate Name(s) 2-[2,4-bis(2,6-dichlorophenyl)-3-(3,6-dioxo-1,4-cyclohexadien-1-yl)cyclobutyl]benzo-1,4-quinone 2-[2,4-bis(2,6-dichlorophenyl)-3-(3,6-dioxo-1-cyclohexa-1,4-dienyl)cyclobutyl]cyclohexa-2,5-diene-1,4-dione 2-[2,4-bis(2,6-dichlorophenyl)-3-(3,6-dioxocyclohexa-1,4-dien-1-yl)cyclobutyl]cyclohexa-2,5-diene-1,4-dione 2-[2,4-bis(2,6-dichlorophenyl)-3-(3,6-dioxocyclohexa-1,4-dien-1-yl)cyclobutyl]-1,4-benzoquinone 2-[2,4-bis[2,6-bis(chloranyl)phenyl]-3-[3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]cyclobutyl]cyclohexa-2,5-diene-1,4-dione
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Formula C28H16Cl4O4
InChI InChI=1S/C28H16Cl4O4/c29-17-3-1-4-18(30)25(17)27-23(15-11-13(33)7-9-21(15)35)28(26-19(31)5-2-6-20(26)32)24(27)16-12-14(34)8-10-22(16)36/h1-12,23-24,27-28H
InChIKey IZQHZYOPIYJHCY-UHFFFAOYSA-N
Molecular Weight 558.244 g/mol
SMILES C1(C2C(c3c(Cl)cccc3Cl)C(C3=CC(=O)C=CC3=O)C2c2c(Cl)cccc2Cl)=CC(=O)C=CC1=O
SPLASH splash10-001i-1190000000-94921967721b49becc2d
Source of Spectrum U1-1998-624-9
Wiley ID 750955