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2-(3-Bromo-4-ethoxy-5-methoxybenzylidene)-6-(4-nitrobenzylidene)cyclohexanone
SpectraBase Compound ID LIcHgCtAl6L
InChI InChI=1S/C23H22BrNO5/c1-3-30-23-20(24)13-16(14-21(23)29-2)12-18-6-4-5-17(22(18)26)11-15-7-9-19(10-8-15)25(27)28/h7-14H,3-6H2,1-2H3/b17-11+,18-12+
InChIKey FPIBHDWPIBGHRB-JYFOCSDGSA-N
Mol Weight 472.34 g/mol
Molecular Formula C23H22BrNO5
Exact Mass 471.068136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1S41Dra5Gy
Name 2-(3-Bromo-4-ethoxy-5-methoxybenzylidene)-6-(4-nitrobenzylidene)cyclohexanone
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Formula C23H22BrNO5
InChI InChI=1S/C23H22BrNO5/c1-3-30-23-20(24)13-16(14-21(23)29-2)12-18-6-4-5-17(22(18)26)11-15-7-9-19(10-8-15)25(27)28/h7-14H,3-6H2,1-2H3/b17-11+,18-12+
InChIKey FPIBHDWPIBGHRB-JYFOCSDGSA-N
Molecular Weight 472.335 g/mol
SMILES C1(\C(CCC\C1=C\c1ccc(cc1)N(=O)=O)=C\c1cc(c(c(c1)OC)OCC)Br)=O
SPLASH splash10-01vo-0106900000-439eb9bb9cfaa1f25a05
Source of Spectrum F2-50-122-5s
Synonyms (2E,6E)-2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-6-[(4-nitrophenyl)methylidene]-1-cyclohexanone (2E,6E)-2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-6-[(4-nitrophenyl)methylidene]cyclohexan-1-one (2E,6E)-2-[(3-bromo-4-ethoxy-5-methoxy-phenyl)methylene]-6-[(4-nitrophenyl)methylene]cyclohexanone (2E,6E)-2-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methylidene]-6-[(4-nitrophenyl)methylidene]cyclohexan-1-one
Wiley ID 1716609