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2-[2,4-bis(2,5-dichlorophenyl)-3-(3,6-diketocyclohexa-1,4-dien-1-yl)cyclobutyl]-p-benzoquinone
SpectraBase Compound ID 7E9VJPYmiHY
InChI InChI=1S/C28H16Cl4O4/c29-13-1-5-21(31)17(9-13)25-27(19-11-15(33)3-7-23(19)35)26(18-10-14(30)2-6-22(18)32)28(25)20-12-16(34)4-8-24(20)36/h1-12,25-28H
InChIKey TXXBKXOQWWULIP-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 8yArRyMeMjn
Name 2-[2,4-bis(2,5-dichlorophenyl)-3-(3,6-diketocyclohexa-1,4-dien-1-yl)cyclobutyl]-p-benzoquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H16Cl4O4
InChI InChI=1S/C28H16Cl4O4/c29-13-1-5-21(31)17(9-13)25-27(19-11-15(33)3-7-23(19)35)26(18-10-14(30)2-6-22(18)32)28(25)20-12-16(34)4-8-24(20)36/h1-12,25-28H
InChIKey TXXBKXOQWWULIP-UHFFFAOYSA-N
Molecular Weight 558.244 g/mol
SMILES C1(C2C(c3c(ccc(c3)Cl)Cl)C(C3=CC(=O)C=CC3=O)C2c2c(ccc(c2)Cl)Cl)=CC(=O)C=CC1=O
SPLASH splash10-0udi-9230000000-74b462732fb49011084a
Source of Spectrum U1-1998-624-9
Synonyms 2-[2,4-bis(2,5-dichlorophenyl)-3-(3,6-dioxo-1-cyclohexa-1,4-dienyl)cyclobutyl]cyclohexa-2,5-diene-1,4-dione 2-[2,4-bis(2,5-dichlorophenyl)-3-(3,6-dioxocyclohexa-1,4-dien-1-yl)cyclobutyl]-1,4-benzoquinone 2-[2,4-bis(2,5-dichlorophenyl)-3-(3,6-dioxocyclohexa-1,4-dien-1-yl)cyclobutyl]cyclohexa-2,5-diene-1,4-dione 2-[2,4-bis[2,5-bis(chloranyl)phenyl]-3-[3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]cyclobutyl]cyclohexa-2,5-diene-1,4-dione
Wiley ID 750956