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2-(3-Bromo-4,5-dimethoxybenzylidene)-6-(3-nitrobenzylidene)cyclohexanone
SpectraBase Compound ID LhPeny6Rnfo
InChI InChI=1S/C22H20BrNO5/c1-28-20-13-15(12-19(23)22(20)29-2)10-17-7-4-6-16(21(17)25)9-14-5-3-8-18(11-14)24(26)27/h3,5,8-13H,4,6-7H2,1-2H3/b16-9+,17-10+
InChIKey MJIOZJVBIUUSNS-CZCYGEDCSA-N
Mol Weight 458.31 g/mol
Molecular Formula C22H20BrNO5
Exact Mass 457.052486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8nyukMjdQ1E
Name 2-(3-Bromo-4,5-dimethoxybenzylidene)-6-(3-nitrobenzylidene)cyclohexanone
Alternate Name(s) (2E,6E)-2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-6-[(3-nitrophenyl)methylidene]-1-cyclohexanone (2E,6E)-2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-6-[(3-nitrophenyl)methylidene]cyclohexan-1-one (2E,6E)-2-[(3-bromo-4,5-dimethoxy-phenyl)methylene]-6-[(3-nitrophenyl)methylene]cyclohexanone (2E,6E)-2-[(3-bromanyl-4,5-dimethoxy-phenyl)methylidene]-6-[(3-nitrophenyl)methylidene]cyclohexan-1-one
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Formula C22H20BrNO5
InChI InChI=1S/C22H20BrNO5/c1-28-20-13-15(12-19(23)22(20)29-2)10-17-7-4-6-16(21(17)25)9-14-5-3-8-18(11-14)24(26)27/h3,5,8-13H,4,6-7H2,1-2H3/b16-9+,17-10+
InChIKey MJIOZJVBIUUSNS-CZCYGEDCSA-N
Molecular Weight 458.308 g/mol
SMILES C1(\C(CCC\C1=C\c1cc(ccc1)N(=O)=O)=C\c1cc(c(c(c1)OC)OC)Br)=O
SPLASH splash10-004i-0105900000-c3d9ff255e4a20fe3445
Source of Spectrum F2-50-120-5h
Wiley ID 1716615