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(4E)-2-Bromo-3,5-dimethyl-2,5-cyclohexadiene-1,4-dione 4-(O-benzoyloxime)
SpectraBase Compound ID BklW6NhhASz
InChI InChI=1S/C15H12BrNO3/c1-9-8-12(18)13(16)10(2)14(9)17-20-15(19)11-6-4-3-5-7-11/h3-8H,1-2H3/b17-14+
InChIKey ZUFCYFMIBVGCJA-SAPNQHFASA-N
Mol Weight 334.17 g/mol
Molecular Formula C15H12BrNO3
Exact Mass 333.000056 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 80CzyW7jyqT
Name (4E)-2-Bromo-3,5-dimethyl-2,5-cyclohexadiene-1,4-dione 4-(O-benzoyloxime)
Alternate Name(s) 2,5-Cyclohexadiene-1,4-dione, 3-bromo-2,6-dimethyl-, 1-oxime, o-benzoyl- benzoic acid [(E)-(3-bromo-2,6-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester [(E)-(3-bromo-2,6-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] benzoate [(E)-(3-bromo-2,6-dimethyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] benzoate [(E)-(3-bromanyl-2,6-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] benzoate
CAS Registry Number 324051-08-3
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Formula C15H12BrNO3
InChI InChI=1S/C15H12BrNO3/c1-9-8-12(18)13(16)10(2)14(9)17-20-15(19)11-6-4-3-5-7-11/h3-8H,1-2H3/b17-14+
InChIKey ZUFCYFMIBVGCJA-SAPNQHFASA-N
Molecular Weight 334.169 g/mol
SMILES C=1(\C(C(C)=CC(C1Br)=O)=N\OC(=O)c1ccccc1)C
SPLASH splash10-0a4i-5900000000-addb93c1f2613c805923
Source of Spectrum AD-0-2532-0
Wiley ID 1425810