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2,3-Dibromo-5-[4(a)-formylcyclohex-(e)-yl]-6-(trifluoromethyl)-1,4-benzoquinone
SpectraBase Compound ID 4j31oMuiKPt
InChI InChI=1S/C14H11Br2F3O3/c15-10-11(16)13(22)9(14(17,18)19)8(12(10)21)7-3-1-6(5-20)2-4-7/h5-7H,1-4H2
InChIKey DLPCUHIAHNWLAJ-UHFFFAOYSA-N
Mol Weight 444.04 g/mol
Molecular Formula C14H11Br2F3O3
Exact Mass 441.902705 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DUt7sUVlfNd
Name 2,3-Dibromo-5-[4(a)-formylcyclohex-(e)-yl]-6-(trifluoromethyl)-1,4-benzoquinone
Comments Less than 3 mono-isotopic peaks
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Formula C14H11Br2F3O3
InChI InChI=1S/C14H11Br2F3O3/c15-10-11(16)13(22)9(14(17,18)19)8(12(10)21)7-3-1-6(5-20)2-4-7/h5-7H,1-4H2
InChIKey DLPCUHIAHNWLAJ-UHFFFAOYSA-N
Molecular Weight 444.042 g/mol
SMILES C1(=C(C(=O)C(=C(C1=O)Br)Br)C1CCC(C=O)CC1)C(F)(F)F
SPLASH splash10-002f-0000900000-595c8f185f9161b0b182
Source of Spectrum J-62-8677-28
Synonyms 4-[4,5-dibromo-3,6-dioxo-2-(trifluoromethyl)-1,4-cyclohexadien-1-yl]cyclohexanecarbaldehyde 4-[4,5-dibromo-3,6-dioxo-2-(trifluoromethyl)-1-cyclohexa-1,4-dienyl]-1-cyclohexanecarboxaldehyde 4-[4,5-dibromo-3,6-dioxo-2-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]cyclohexane-1-carbaldehyde 4-[4,5-dibromo-3,6-dioxo-2-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]cyclohexanecarbaldehyde 4-[4,5-bis(bromanyl)-3,6-bis(oxidanylidene)-2-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]cyclohexane-1-carbaldehyde
Wiley ID 1385161