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4-(2-Bromo-4-nitro-phenyl)-2-methyl-buta-2,3-dienoic acid ethyl ester
SpectraBase Compound ID Id5pdO9atSv
InChI InChI=1S/C13H12BrNO4/c1-3-19-13(16)9(2)4-5-10-6-7-11(15(17)18)8-12(10)14/h5-8H,3H2,1-2H3
InChIKey OPOGKISIUSZELB-UHFFFAOYSA-N
Mol Weight 326.15 g/mol
Molecular Formula C13H12BrNO4
Exact Mass 324.994971 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6V451BW46mq
Name 4-(2-Bromo-4-nitro-phenyl)-2-methyl-buta-2,3-dienoic acid ethyl ester
Alternate Name(s) Ethyl 4-(2-bromo-4-nitrophenyl)-2-methylbuta-2,3-dienoate 4-(2-bromo-4-nitrophenyl)-2-methylbuta-2,3-dienoic acid ethyl ester Ethyl 4-(2-bromo-4-nitro-phenyl)-2-methyl-buta-2,3-dienoate Ethyl 4-(2-bromanyl-4-nitro-phenyl)-2-methyl-buta-2,3-dienoate
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Formula C13H12BrNO4
InChI InChI=1S/C13H12BrNO4/c1-3-19-13(16)9(2)4-5-10-6-7-11(15(17)18)8-12(10)14/h5-8H,3H2,1-2H3
InChIKey OPOGKISIUSZELB-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol3018775
Molecular Weight 326.146 g/mol
SMILES c1cc(c(cc1[N+](=O)[O-])Br)C=C=C(C)C(OCC)=O
SPLASH splash10-0fb9-0491000000-bcfe160c8d94685e959c
Source of Spectrum A1-14-4398/SMS5-1d
Wiley ID 1750518