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(E)-4-bromo-2-cyano-4-ethyl-2-hexenoic acid methyl ester
SpectraBase Compound ID zwyZgKpG3L
InChI InChI=1S/C10H14BrNO2/c1-4-10(11,5-2)6-8(7-12)9(13)14-3/h6H,4-5H2,1-3H3/b8-6+
InChIKey YMLLJERIXVQBAR-SOFGYWHQSA-N
Mol Weight 260.13 g/mol
Molecular Formula C10H14BrNO2
Exact Mass 259.020792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2cPljpZZB2c
Name (E)-4-bromo-2-cyano-4-ethyl-2-hexenoic acid methyl ester
Alternate Name(s) (E)-4-bromo-2-cyano-4-ethyl-hex-2-enoic acid methyl ester Methyl (E)-4-bromanyl-2-cyano-4-ethyl-hex-2-enoate Methyl (E)-4-bromo-2-cyano-4-ethyl-hex-2-enoate
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Formula C10H14BrNO2
InChI InChI=1S/C10H14BrNO2/c1-4-10(11,5-2)6-8(7-12)9(13)14-3/h6H,4-5H2,1-3H3/b8-6+
InChIKey YMLLJERIXVQBAR-SOFGYWHQSA-N
Molecular Weight 260.131 g/mol
SMILES C(\C(=C\C(CC)(Br)CC)C#N)(=O)OC
SPLASH splash10-001j-1900000000-0847d725adc820f8a853
Source of Spectrum D1-2002-1091-4
Wiley ID 1548149