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2-(3-Bromo-4-hydroxy-5-methoxybenzylidene)-6-(4-nitrobenzylidene)cyclohexanone
SpectraBase Compound ID LsDJmMSvBJ6
InChI InChI=1S/C21H18BrNO5/c1-28-19-12-14(11-18(22)21(19)25)10-16-4-2-3-15(20(16)24)9-13-5-7-17(8-6-13)23(26)27/h5-12,25H,2-4H2,1H3/b15-9+,16-10+
InChIKey TUPVJEMTJUGNNC-KAVGSWPWSA-N
Mol Weight 444.28 g/mol
Molecular Formula C21H18BrNO5
Exact Mass 443.036836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HCziWw5caO2
Name 2-(3-Bromo-4-hydroxy-5-methoxybenzylidene)-6-(4-nitrobenzylidene)cyclohexanone
Alternate Name(s) (2E,6E)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-6-[(4-nitrophenyl)methylidene]-1-cyclohexanone (2E,6E)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-6-[(4-nitrophenyl)methylidene]cyclohexan-1-one (2E,6E)-2-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylene]-6-[(4-nitrophenyl)methylene]cyclohexanone (2E,6E)-2-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-6-[(4-nitrophenyl)methylidene]cyclohexan-1-one
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Formula C21H18BrNO5
InChI InChI=1S/C21H18BrNO5/c1-28-19-12-14(11-18(22)21(19)25)10-16-4-2-3-15(20(16)24)9-13-5-7-17(8-6-13)23(26)27/h5-12,25H,2-4H2,1H3/b15-9+,16-10+
InChIKey TUPVJEMTJUGNNC-KAVGSWPWSA-N
Molecular Weight 444.281 g/mol
SMILES Oc1c(cc(\C=C\2C(\C(CCC2)=C\c2ccc(cc2)N(=O)=O)=O)cc1OC)Br
SPLASH splash10-03di-0119800000-4706c27eb52f37db9b23
Source of Spectrum F2-50-120-5q
Wiley ID 1716611