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2-(3-Bromo-4,5-dimethoxybenzylidene)-6-(2-nitrobenzylidene)cyclohexanone
SpectraBase Compound ID LXe62LrfnFU
InChI InChI=1S/C22H20BrNO5/c1-28-20-12-14(11-18(23)22(20)29-2)10-16-7-5-8-17(21(16)25)13-15-6-3-4-9-19(15)24(26)27/h3-4,6,9-13H,5,7-8H2,1-2H3/b16-10+,17-13+
InChIKey XTPUPOQUINOKPK-QKXOVSGLSA-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 DkSsYdErly5
Name 2-(3-Bromo-4,5-dimethoxybenzylidene)-6-(2-nitrobenzylidene)cyclohexanone
Alternate Name(s) (2E,6E)-2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-6-[(2-nitrophenyl)methylidene]-1-cyclohexanone (2E,6E)-2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-6-[(2-nitrophenyl)methylidene]cyclohexan-1-one (2E,6E)-2-[(3-bromo-4,5-dimethoxy-phenyl)methylene]-6-[(2-nitrophenyl)methylene]cyclohexanone (2E,6E)-2-[(3-bromanyl-4,5-dimethoxy-phenyl)methylidene]-6-[(2-nitrophenyl)methylidene]cyclohexan-1-one
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Formula C22H20BrNO5
InChI InChI=1S/C22H20BrNO5/c1-28-20-12-14(11-18(23)22(20)29-2)10-16-7-5-8-17(21(16)25)13-15-6-3-4-9-19(15)24(26)27/h3-4,6,9-13H,5,7-8H2,1-2H3/b16-10+,17-13+
InChIKey XTPUPOQUINOKPK-QKXOVSGLSA-N
Molecular Weight 458.308 g/mol
SMILES C1(\C(CCC\C1=C\c1c(cccc1)N(=O)=O)=C\c1cc(c(c(c1)OC)OC)Br)=O
SPLASH splash10-054o-2101900000-5eab7730c6bcc4302ad5
Source of Spectrum F2-50-120-5c
Wiley ID 1716618