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(E)-2-Bromo-1,5-dimethoxy-3-(2-nitroprop-1-en-1-yl)benzene
SpectraBase Compound ID DifF9NbrzEU
InChI InChI=1S/C11H12BrNO4/c1-7(13(14)15)4-8-5-9(16-2)6-10(17-3)11(8)12/h4-6H,1-3H3/b7-4+
InChIKey JTOIGOQKMZQXQF-QPJJXVBHSA-N
Mol Weight 302.12 g/mol
Molecular Formula C11H12BrNO4
Exact Mass 300.994971 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GfHOJ8pxMUW
Name (E)-2-Bromo-1,5-dimethoxy-3-(2-nitroprop-1-en-1-yl)benzene
Appearance Yellow solid
Carrier Gas Helium
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Exact Mass 300.994970866 u
Formula C11H12BrNO4
InChI InChI=1S/C11H12BrNO4/c1-7(13(14)15)4-8-5-9(16-2)6-10(17-3)11(8)12/h4-6H,1-3H3/b7-4+
InChIKey JTOIGOQKMZQXQF-QPJJXVBHSA-N
Instrument Name ThermoFinnigan MAT95XL
Ionization Type EI
Literature Reference DOI 10.1002/anie.201510709
Quality 205
Reported Formula C11H12BrNO4
SMILES C1(Br)=C(C=C(C=C1\C=C/(C)[N+](=O)[O-])OC)OC
SPLASH splash10-0fl0-1942000000-80e89a4d00a349a6b84b
Source of Spectrum ACI-55-SM3-6 (DOI: 10.1002/anie.201510709)
Thin-Layer Chromatography 0.46 (petroleum ether/EtOAc, 3:1)
Wiley ID 1895316